5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide

C34H39ClN8O2 — CID 53346067

IUPAC5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(-c2nc(C3CCC(N4CCN(C)CC4)CC3)n3ccnc(C)c23)ccc1NC(=O)c1cc2cc(Cl)cnc2n1C
InChIInChI=1S/C34H39ClN8O2/c1-21-31-30(39-33(43(31)12-11-36-21)22-5-8-26(9-6-22)42-15-13-40(2)14-16-42)23-7-10-27(29(19-23)45-4)38-34(44)28-18-24-17-25(35)20-37-32(24)41(28)3/h7,10-12,17-20,22,26H,5-6,8-9,13-16H2,1-4H3,(H,38,44)
InChIKeyKESMCJDAKXMPAO-UHFFFAOYSA-N
MW627.19 g/mol
LogP5.78
Rot. Bonds6

About 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide

5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 53346067) has the molecular formula C34H39ClN8O2 and a molecular weight of 627.19 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID53346067
Molecular FormulaC34H39ClN8O2
Molecular Weight627.19 g/mol
Exact Mass626.29
IUPAC Name5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(-c2nc(C3CCC(N4CCN(C)CC4)CC3)n3ccnc(C)c23)ccc1NC(=O)c1cc2cc(Cl)cnc2n1C
InChIInChI=1S/C34H39ClN8O2/c1-21-31-30(39-33(43(31)12-11-36-21)22-5-8-26(9-6-22)42-15-13-40(2)14-16-42)23-7-10-27(29(19-23)45-4)38-34(44)28-18-24-17-25(35)20-37-32(24)41(28)3/h7,10-12,17-20,22,26H,5-6,8-9,13-16H2,1-4H3,(H,38,44)
InChIKeyKESMCJDAKXMPAO-UHFFFAOYSA-N
XLogP5.78
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.19
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide (CID 53346067) is 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide is COc1cc(-c2nc(C3CCC(N4CCN(C)CC4)CC3)n3ccnc(C)c23)ccc1NC(=O)c1cc2cc(Cl)cnc2n1C.
What is the InChIKey of 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is KESMCJDAKXMPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39ClN8O2/c1-21-31-30(39-33(43(31)12-11-36-21)22-5-8-26(9-6-22)42-15-13-40(2)14-16-42)23-7-10-27(29(19-23)45-4)38-34(44)28-18-24-17-25(35)20-37-32(24)41(28)3/h7,10-12,17-20,22,26H,5-6,8-9,13-16H2,1-4H3,(H,38,44).
What are the key properties of 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide?
5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 627.19 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methoxy-4-[8-methyl-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53346067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).