4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide

C27H26ClN7O — CID 59133022

IUPAC4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)nccn34)CC2)cn1
InChIInChI=1S/C27H26ClN7O/c1-15-5-10-19(14-31-15)32-27(36)17-8-6-16(7-9-17)26-34-23(24-25(29)30-11-12-35(24)26)21-13-18-3-2-4-20(28)22(18)33-21/h2-5,10-14,16-17,33H,6-9H2,1H3,(H2,29,30)(H,32,36)
InChIKeyNFILZMADFVQNGA-UHFFFAOYSA-N
MW500.01 g/mol
LogP5.73
Rot. Bonds4

About 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide

4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 59133022) has the molecular formula C27H26ClN7O and a molecular weight of 500.01 g/mol. Its IUPAC name is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID59133022
Molecular FormulaC27H26ClN7O
Molecular Weight500.01 g/mol
Exact Mass499.19
IUPAC Name4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)nccn34)CC2)cn1
InChIInChI=1S/C27H26ClN7O/c1-15-5-10-19(14-31-15)32-27(36)17-8-6-16(7-9-17)26-34-23(24-25(29)30-11-12-35(24)26)21-13-18-3-2-4-20(28)22(18)33-21/h2-5,10-14,16-17,33H,6-9H2,1H3,(H2,29,30)(H,32,36)
InChIKeyNFILZMADFVQNGA-UHFFFAOYSA-N
XLogP5.73
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.01
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (CID 59133022) is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)nccn34)CC2)cn1.
What is the InChIKey of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is NFILZMADFVQNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O/c1-15-5-10-19(14-31-15)32-27(36)17-8-6-16(7-9-17)26-34-23(24-25(29)30-11-12-35(24)26)21-13-18-3-2-4-20(28)22(18)33-21/h2-5,10-14,16-17,33H,6-9H2,1H3,(H2,29,30)(H,32,36).
What are the key properties of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 500.01 g/mol, XLogP of 5.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 59133022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).