5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone

C69H81Cl3F3N15O9 — CID 157227409

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCC(O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCOCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CO)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/3C23H27ClFN5O3/c1-11(2)33-20-15(12(3)22-28-13(4)19-21(26)27-6-8-30(19)22)9-16(24)18(25)17(20)23(32)29-7-5-14(31)10-29;1-12(2)33-20-15(13(3)22-28-14(4)19-21(26)27-5-6-30(19)22)11-16(24)18(25)17(20)23(31)29-7-9-32-10-8-29;1-11(2)33-19-14(12(3)21-28-13(4)18-20(26)27-7-8-30(18)21)9-15(24)17(25)16(19)22(32)29-23(10-31)5-6-23/h6,8-9,11-12,14,31H,5,7,10H2,1-4H3,(H2,26,27);5-6,11-13H,7-10H2,1-4H3,(H2,26,27);7-9,11-12,31H,5-6,10H2,1-4H3,(H2,26,27)(H,29,32)
InChIKeyATRUSJYOFGYBEH-UHFFFAOYSA-N
MW1427.86 g/mol
LogP10.99
Rot. Bonds17

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone (PubChem CID 157227409) has the molecular formula C69H81Cl3F3N15O9 and a molecular weight of 1427.86 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone
PubChem CID157227409
Molecular FormulaC69H81Cl3F3N15O9
Molecular Weight1427.86 g/mol
Exact Mass1425.54
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone
SMILESCc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCC(O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCOCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CO)CC3)c2OC(C)C)n2ccnc(N)c12
InChIInChI=1S/3C23H27ClFN5O3/c1-11(2)33-20-15(12(3)22-28-13(4)19-21(26)27-6-8-30(19)22)9-16(24)18(25)17(20)23(32)29-7-5-14(31)10-29;1-12(2)33-20-15(13(3)22-28-14(4)19-21(26)27-5-6-30(19)22)11-16(24)18(25)17(20)23(31)29-7-9-32-10-8-29;1-11(2)33-19-14(12(3)21-28-13(4)18-20(26)27-7-8-30(18)21)9-15(24)17(25)16(19)22(32)29-23(10-31)5-6-23/h6,8-9,11-12,14,31H,5,7,10H2,1-4H3,(H2,26,27);5-6,11-13H,7-10H2,1-4H3,(H2,26,27);7-9,11-12,31H,5-6,10H2,1-4H3,(H2,26,27)(H,29,32)
InChIKeyATRUSJYOFGYBEH-UHFFFAOYSA-N
XLogP10.99
TPSA315.73 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001427.86
LogP ≤ 510.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1-[[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 134588130
[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]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 134600637
[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
2-[[5-[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]amino]-2-methylpropanoic acid
CID 134600769
1-[[5-[5-[(8-Amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]pyridine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 134600782
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-[5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-N-[1-(hydroxymethyl)cyclopropyl]pyridine-2-carboxamide
CID 134600821
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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone (CID 157227409) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCC(O)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCOCC3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3(CO)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-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is ATRUSJYOFGYBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H27ClFN5O3/c1-11(2)33-20-15(12(3)22-28-13(4)19-21(26)27-6-8-30(19)22)9-16(24)18(25)17(20)23(32)29-7-5-14(31)10-29;1-12(2)33-20-15(13(3)22-28-14(4)19-21(26)27-5-6-30(19)22)11-16(24)18(25)17(20)23(31)29-7-9-32-10-8-29;1-11(2)33-19-14(12(3)21-28-13(4)18-20(26)27-7-8-30(18)21)9-15(24)17(25)16(19)22(32)29-23(10-31)5-6-23/h6,8-9,11-12,14,31H,5,7,10H2,1-4H3,(H2,26,27);5-6,11-13H,7-10H2,1-4H3,(H2,26,27);7-9,11-12,31H,5-6,10H2,1-4H3,(H2,26,27)(H,29,32).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 1427.86 g/mol, XLogP of 10.99, 17 rotatable bonds, 6 hydrogen bond donors, and 21 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-2-fluoro-N-[1-(hydroxymethyl)cyclopropyl]-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-hydroxypyrrolidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 157227409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).