1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate

C126H127Cl4F4N25O16 — CID 160566377

IUPAC1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate
SMILESCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc(OC)nc-2c1.CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc(OC)nc-2c1.CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc-2[nH]c(=O)c1.COC(=O)Cc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1cn(-c3cccc(Cl)c3F)nc1N)c1ncc-2[nH]1
InChIInChI=1S/2C33H34ClFN6O4.C32H32ClFN6O4.C28H27ClFN7O4/c2*1-5-29(42)37-21-12-13-22-26-14-20(15-30(38-26)45-4)25(10-6-8-18(2)32(43)40-27(22)16-21)39-33(44)23-17-36-41(19(23)3)28-11-7-9-24(34)31(28)35;1-4-28(41)36-20-11-12-21-25-13-19(14-29(42)37-25)24(9-5-7-17(2)31(43)39-26(21)15-20)38-32(44)22-16-35-40(18(22)3)27-10-6-8-23(33)30(27)34;1-41-24(39)12-15-9-10-16-20(11-15)33-23(38)8-3-2-6-19(27-32-13-21(16)34-27)35-28(40)17-14-37(36-26(17)31)22-7-4-5-18(29)25(22)30/h2*7,9,11-18,25H,5-6,8,10H2,1-4H3,(H,37,42)(H,39,44)(H,40,43);6,8,10-17,24H,4-5,7,9H2,1-3H3,(H,36,41)(H,37,42)(H,38,44)(H,39,43);4-5,7,9-11,13-14,19H,2-3,6,8,12H2,1H3,(H2,31,36)(H,32,34)(H,33,38)(H,35,40)/t18-,25+;18-,25-;17-,24+;19-/m1010/s1
InChIKeyQZZAPUUAKSRVLI-XPNPOBHVSA-N
MW2465.36 g/mol
LogP23.49
Rot. Bonds22

About 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate

1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate (PubChem CID 160566377) has the molecular formula C126H127Cl4F4N25O16 and a molecular weight of 2465.36 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate
PubChem CID160566377
Molecular FormulaC126H127Cl4F4N25O16
Molecular Weight2465.36 g/mol
Exact Mass2461.86
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate
SMILESCCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc(OC)nc-2c1.CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc(OC)nc-2c1.CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc-2[nH]c(=O)c1.COC(=O)Cc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1cn(-c3cccc(Cl)c3F)nc1N)c1ncc-2[nH]1
InChIInChI=1S/2C33H34ClFN6O4.C32H32ClFN6O4.C28H27ClFN7O4/c2*1-5-29(42)37-21-12-13-22-26-14-20(15-30(38-26)45-4)25(10-6-8-18(2)32(43)40-27(22)16-21)39-33(44)23-17-36-41(19(23)3)28-11-7-9-24(34)31(28)35;1-4-28(41)36-20-11-12-21-25-13-19(14-29(42)37-25)24(9-5-7-17(2)31(43)39-26(21)15-20)38-32(44)22-16-35-40(18(22)3)27-10-6-8-23(33)30(27)34;1-41-24(39)12-15-9-10-16-20(11-15)33-23(38)8-3-2-6-19(27-32-13-21(16)34-27)35-28(40)17-14-37(36-26(17)31)22-7-4-5-18(29)25(22)30/h2*7,9,11-18,25H,5-6,8,10H2,1-4H3,(H,37,42)(H,39,44)(H,40,43);6,8,10-17,24H,4-5,7,9H2,1-3H3,(H,36,41)(H,37,42)(H,38,44)(H,39,43);4-5,7,9-11,13-14,19H,2-3,6,8,12H2,1H3,(H2,31,36)(H,32,34)(H,33,38)(H,35,40)/t18-,25+;18-,25-;17-,24+;19-/m1010/s1
InChIKeyQZZAPUUAKSRVLI-XPNPOBHVSA-N
XLogP23.49
TPSA549.48 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.36
LogP ≤ 523.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate (CID 160566377) is 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate is CCC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc(OC)nc-2c1.CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc(OC)nc-2c1.CCC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1C)c1cc-2[nH]c(=O)c1.COC(=O)Cc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1cn(-c3cccc(Cl)c3F)nc1N)c1ncc-2[nH]1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate?
The InChIKey is QZZAPUUAKSRVLI-XPNPOBHVSA-N. The full InChI is InChI=1S/2C33H34ClFN6O4.C32H32ClFN6O4.C28H27ClFN7O4/c2*1-5-29(42)37-21-12-13-22-26-14-20(15-30(38-26)45-4)25(10-6-8-18(2)32(43)40-27(22)16-21)39-33(44)23-17-36-41(19(23)3)28-11-7-9-24(34)31(28)35;1-4-28(41)36-20-11-12-21-25-13-19(14-29(42)37-25)24(9-5-7-17(2)31(43)39-26(21)15-20)38-32(44)22-16-35-40(18(22)3)27-10-6-8-23(33)30(27)34;1-41-24(39)12-15-9-10-16-20(11-15)33-23(38)8-3-2-6-19(27-32-13-21(16)34-27)35-28(40)17-14-37(36-26(17)31)22-7-4-5-18(29)25(22)30/h2*7,9,11-18,25H,5-6,8,10H2,1-4H3,(H,37,42)(H,39,44)(H,40,43);6,8,10-17,24H,4-5,7,9H2,1-3H3,(H,36,41)(H,37,42)(H,38,44)(H,39,43);4-5,7,9-11,13-14,19H,2-3,6,8,12H2,1H3,(H2,31,36)(H,32,34)(H,33,38)(H,35,40)/t18-,25+;18-,25-;17-,24+;19-/m1010/s1.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate?
1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate has a molecular weight of 2465.36 g/mol, XLogP of 23.49, 22 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-N-[(10S,14S)-17-methoxy-10-methyl-9-oxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(18),2(7),3,5,15(19),16-hexaen-14-yl]-5-methylpyrazole-4-carboxamide;1-(3-chloro-2-fluorophenyl)-5-methyl-N-[(10R,14S)-10-methyl-9,17-dioxo-5-(propanoylamino)-8,18-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15-pentaen-14-yl]pyrazole-4-carboxamide;methyl 2-[(14S)-14-[[3-amino-1-(3-chloro-2-fluorophenyl)pyrazole-4-carbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]acetate is sourced from PubChem (CID 160566377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).