5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C85H102Cl3F6N17O6 — CID 163480115

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN4CCN(CC5CC5)CC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(C)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C31H41ClFN7O2.C28H28ClF4N5O2.C26H33ClFN5O2/c1-18(2)42-27-22(19(3)29-36-20(4)26-28(34)35-9-10-40(26)29)15-23(32)25(33)24(27)30(41)37-31(7-8-31)17-39-13-11-38(12-14-39)16-21-5-6-21;1-13(2)40-24-19(14(3)26-36-16(5)23-25(34)35-9-10-38(23)26)12-20(29)22(30)21(24)27(39)37-15(4)17-7-6-8-18(11-17)28(31,32)33;1-13(2)35-23-18(15(4)25-31-16(5)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)32-17-8-6-14(3)7-9-17/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-15H,1-5H3,(H2,34,35)(H,37,39);10-15,17H,6-9H2,1-5H3,(H2,29,30)(H,32,34)
InChIKeyCDVGYNYOYDJELJ-UHFFFAOYSA-N
MW1678.21 g/mol
LogP17.16
Rot. Bonds23

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 163480115) has the molecular formula C85H102Cl3F6N17O6 and a molecular weight of 1678.21 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID163480115
Molecular FormulaC85H102Cl3F6N17O6
Molecular Weight1678.21 g/mol
Exact Mass1675.72
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN4CCN(CC5CC5)CC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(C)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C31H41ClFN7O2.C28H28ClF4N5O2.C26H33ClFN5O2/c1-18(2)42-27-22(19(3)29-36-20(4)26-28(34)35-9-10-40(26)29)15-23(32)25(33)24(27)30(41)37-31(7-8-31)17-39-13-11-38(12-14-39)16-21-5-6-21;1-13(2)40-24-19(14(3)26-36-16(5)23-25(34)35-9-10-38(23)26)12-20(29)22(30)21(24)27(39)37-15(4)17-7-6-8-18(11-17)28(31,32)33;1-13(2)35-23-18(15(4)25-31-16(5)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)32-17-8-6-14(3)7-9-17/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-15H,1-5H3,(H2,34,35)(H,37,39);10-15,17H,6-9H2,1-5H3,(H2,29,30)(H,32,34)
InChIKeyCDVGYNYOYDJELJ-UHFFFAOYSA-N
XLogP17.16
TPSA290.10 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001678.21
LogP ≤ 517.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide with MolForge

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Related Compounds

[5-[5-[(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134600973
[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 134600976
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-6-propan-2-yloxybenzamide
CID 137549647
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[(dimethylamino)methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
CID 137549653
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-yloxybenzamide
CID 137549654
[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 137549657
[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 137549658
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-3-ylmethyl)-6-propan-2-yloxybenzamide
CID 137549660
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-6-propan-2-yloxybenzamide
CID 137549661
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(3R)-oxan-3-yl]-6-propan-2-yloxybenzamide
CID 137549662
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-propan-2-yloxybenzamide
CID 137549663
5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(oxan-4-ylmethyl)-6-propan-2-yloxybenzamide
CID 137549664

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 163480115) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3cccc(C(F)(F)F)c3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CN4CCN(CC5CC5)CC4)CC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CCC(C)CC3)c2OC(C)C)n2ccnc(N)c12.
What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is CDVGYNYOYDJELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41ClFN7O2.C28H28ClF4N5O2.C26H33ClFN5O2/c1-18(2)42-27-22(19(3)29-36-20(4)26-28(34)35-9-10-40(26)29)15-23(32)25(33)24(27)30(41)37-31(7-8-31)17-39-13-11-38(12-14-39)16-21-5-6-21;1-13(2)40-24-19(14(3)26-36-16(5)23-25(34)35-9-10-38(23)26)12-20(29)22(30)21(24)27(39)37-15(4)17-7-6-8-18(11-17)28(31,32)33;1-13(2)35-23-18(15(4)25-31-16(5)22-24(29)30-10-11-33(22)25)12-19(27)21(28)20(23)26(34)32-17-8-6-14(3)7-9-17/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-15H,1-5H3,(H2,34,35)(H,37,39);10-15,17H,6-9H2,1-5H3,(H2,29,30)(H,32,34).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 1678.21 g/mol, XLogP of 17.16, 23 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(4-methylcyclohexyl)-6-propan-2-yloxybenzamide;5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 163480115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).