5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one

C74H72Cl4F3N11O7 — CID 159080394

IUPAC5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)(C)OC(=O)n1ccc2c(Cl)ccnc21.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1N.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2c1C=CC2.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2c1ccn2C(=O)OC(C)(C)C
InChIInChI=1S/C26H26ClFN4O3.C22H19ClFN3O.C14H14ClFN2O.C12H13ClN2O2/c1-14(2)22-21(13-18(24(33)31-22)17-12-15(27)6-7-19(17)28)30-20-8-10-29-23-16(20)9-11-32(23)25(34)35-26(3,4)5;1-12(2)21-20(26-19-8-9-25-18-5-3-4-14(18)19)11-16(22(28)27-21)15-10-13(23)6-7-17(15)24;1-7(2)13-12(17)6-10(14(19)18-13)9-5-8(15)3-4-11(9)16;1-12(2,3)17-11(16)15-7-5-8-9(13)4-6-14-10(8)15/h6-14H,1-5H3,(H,29,30)(H,31,33);3-4,6-12H,5H2,1-2H3,(H,25,26)(H,27,28);3-7H,17H2,1-2H3,(H,18,19);4-7H,1-3H3
InChIKeyKATZRTPJNYZLOR-UHFFFAOYSA-N
MW1426.27 g/mol
LogP19.51
Rot. Bonds10

About 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one

5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 159080394) has the molecular formula C74H72Cl4F3N11O7 and a molecular weight of 1426.27 g/mol. Its IUPAC name is 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID159080394
Molecular FormulaC74H72Cl4F3N11O7
Molecular Weight1426.27 g/mol
Exact Mass1423.43
IUPAC Name5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)(C)OC(=O)n1ccc2c(Cl)ccnc21.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1N.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2c1C=CC2.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2c1ccn2C(=O)OC(C)(C)C
InChIInChI=1S/C26H26ClFN4O3.C22H19ClFN3O.C14H14ClFN2O.C12H13ClN2O2/c1-14(2)22-21(13-18(24(33)31-22)17-12-15(27)6-7-19(17)28)30-20-8-10-29-23-16(20)9-11-32(23)25(34)35-26(3,4)5;1-12(2)21-20(26-19-8-9-25-18-5-3-4-14(18)19)11-16(22(28)27-21)15-10-13(23)6-7-17(15)24;1-7(2)13-12(17)6-10(14(19)18-13)9-5-8(15)3-4-11(9)16;1-12(2,3)17-11(16)15-7-5-8-9(13)4-6-14-10(8)15/h6-14H,1-5H3,(H,29,30)(H,31,33);3-4,6-12H,5H2,1-2H3,(H,25,26)(H,27,28);3-7H,17H2,1-2H3,(H,18,19);4-7H,1-3H3
InChIKeyKATZRTPJNYZLOR-UHFFFAOYSA-N
XLogP19.51
TPSA249.79 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001426.27
LogP ≤ 519.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one (CID 159080394) is 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one is CC(C)(C)OC(=O)n1ccc2c(Cl)ccnc21.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1N.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2c1C=CC2.CC(C)c1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccnc2c1ccn2C(=O)OC(C)(C)C.
What is the InChIKey of 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is KATZRTPJNYZLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O3.C22H19ClFN3O.C14H14ClFN2O.C12H13ClN2O2/c1-14(2)22-21(13-18(24(33)31-22)17-12-15(27)6-7-19(17)28)30-20-8-10-29-23-16(20)9-11-32(23)25(34)35-26(3,4)5;1-12(2)21-20(26-19-8-9-25-18-5-3-4-14(18)19)11-16(22(28)27-21)15-10-13(23)6-7-17(15)24;1-7(2)13-12(17)6-10(14(19)18-13)9-5-8(15)3-4-11(9)16;1-12(2,3)17-11(16)15-7-5-8-9(13)4-6-14-10(8)15/h6-14H,1-5H3,(H,29,30)(H,31,33);3-4,6-12H,5H2,1-2H3,(H,25,26)(H,27,28);3-7H,17H2,1-2H3,(H,18,19);4-7H,1-3H3.
What are the key properties of 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one?
5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 1426.27 g/mol, XLogP of 19.51, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-chloro-2-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 4-chloropyrrolo[2,3-b]pyridine-1-carboxylate;3-(5-chloro-2-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-ylamino)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 159080394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).