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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide

C83H99Cl3F6N18O7 — CID 163466965

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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3ccnc(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(O)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C31H41ClFN7O2.C27H27ClF4N6O2.C25H31ClFN5O3/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;1-12(2)40-23-17(13(3)25-36-15(5)22-24(33)35-8-9-38(22)25)11-18(28)21(29)20(23)26(39)37-14(4)16-6-7-34-19(10-16)27(30,31)32;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-14H,1-5H3,(H2,33,35)(H,37,39);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34)
InChIKeyBTKPAUIIXOGOIJ-UHFFFAOYSA-N
MW1681.17 g/mol
LogP15.28
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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide (PubChem CID 163466965) has the molecular formula C83H99Cl3F6N18O7 and a molecular weight of 1681.17 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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide
PubChem CID163466965
Molecular FormulaC83H99Cl3F6N18O7
Molecular Weight1681.17 g/mol
Exact Mass1678.69
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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3ccnc(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(O)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/C31H41ClFN7O2.C27H27ClF4N6O2.C25H31ClFN5O3/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;1-12(2)40-23-17(13(3)25-36-15(5)22-24(33)35-8-9-38(22)25)11-18(28)21(29)20(23)26(39)37-14(4)16-6-7-34-19(10-16)27(30,31)32;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-14H,1-5H3,(H2,33,35)(H,37,39);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34)
InChIKeyBTKPAUIIXOGOIJ-UHFFFAOYSA-N
XLogP15.28
TPSA323.22 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001681.17
LogP ≤ 515.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide with MolForge

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Related Compounds

[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 134600632
[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 134600641
[5-[5-[(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 134600728
5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide
CID 134600820
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-2-fluoro-N-(3-hydroxy-1-methylcyclobutyl)-6-propan-2-yloxybenzamide
CID 137549652
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-(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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide (CID 163466965) 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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC(C)c3ccnc(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(O)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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide?
The InChIKey is BTKPAUIIXOGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41ClFN7O2.C27H27ClF4N6O2.C25H31ClFN5O3/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;1-12(2)40-23-17(13(3)25-36-15(5)22-24(33)35-8-9-38(22)25)11-18(28)21(29)20(23)26(39)37-14(4)16-6-7-34-19(10-16)27(30,31)32;1-12(2)35-22-17(13(3)24-30-14(4)21-23(28)29-9-10-32(21)24)11-18(26)20(27)19(22)25(34)31-15-5-7-16(33)8-6-15/h9-10,15,18-19,21H,5-8,11-14,16-17H2,1-4H3,(H2,34,35)(H,37,41);6-14H,1-5H3,(H2,33,35)(H,37,39);9-13,15-16,33H,5-8H2,1-4H3,(H2,28,29)(H,31,34).
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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide has a molecular weight of 1681.17 g/mol, XLogP of 15.28, 23 rotatable bonds, 7 hydrogen bond donors, and 22 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-hydroxycyclohexyl)-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-[2-(trifluoromethyl)-4-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 163466965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).