N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide

C23H24ClN7O — CID 170519230

IUPACN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CC5CCC(C4)N5)c4cn(C)nc34)cc(Cl)c2n1
InChIInChI=1S/C23H24ClN7O/c1-13-8-31-11-16(7-19(24)22(31)25-13)27-23(32)17-5-6-20(18-12-29(2)28-21(17)18)30-9-14-3-4-15(10-30)26-14/h5-8,11-12,14-15,26H,3-4,9-10H2,1-2H3,(H,27,32)
InChIKeyWIPLFOWJUVJGEO-UHFFFAOYSA-N
MW449.95 g/mol
LogP3.38
Rot. Bonds3

About N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide

N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide (PubChem CID 170519230) has the molecular formula C23H24ClN7O and a molecular weight of 449.95 g/mol. Its IUPAC name is N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide
PubChem CID170519230
Molecular FormulaC23H24ClN7O
Molecular Weight449.95 g/mol
Exact Mass449.17
IUPAC NameN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CC5CCC(C4)N5)c4cn(C)nc34)cc(Cl)c2n1
InChIInChI=1S/C23H24ClN7O/c1-13-8-31-11-16(7-19(24)22(31)25-13)27-23(32)17-5-6-20(18-12-29(2)28-21(17)18)30-9-14-3-4-15(10-30)26-14/h5-8,11-12,14-15,26H,3-4,9-10H2,1-2H3,(H,27,32)
InChIKeyWIPLFOWJUVJGEO-UHFFFAOYSA-N
XLogP3.38
TPSA79.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.95
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide with MolForge

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Related Compounds

N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)indazole-7-carboxamide
CID 166523450
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
CID 167500502
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[(3R)-3-piperazin-1-ylpyrrolidin-1-yl]indazole-7-carboxamide
CID 167501070
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501954
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617
4-[(3R)-3-(cyclobutylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167502110
4-(2,6-diazaspiro[3.3]heptan-2-yl)-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167502034
4-[4-(ethylamino)piperidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carboxamide
CID 167501002
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[(3R)-3-propan-2-ylpiperazin-1-yl]indazole-7-carboxamide
CID 167502208
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3R)-3-[(3-methoxycyclobutyl)amino]pyrrolidin-1-yl]-2-methylindazole-7-carboxamide
CID 167501548
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]indazole-7-carboxamide
CID 167501564
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166522206

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide?
The IUPAC name of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide (CID 170519230) is N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide.
What is the SMILES notation for N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide?
The canonical SMILES for N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CC5CCC(C4)N5)c4cn(C)nc34)cc(Cl)c2n1.
What is the InChIKey of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide?
The InChIKey is WIPLFOWJUVJGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O/c1-13-8-31-11-16(7-19(24)22(31)25-13)27-23(32)17-5-6-20(18-12-29(2)28-21(17)18)30-9-14-3-4-15(10-30)26-14/h5-8,11-12,14-15,26H,3-4,9-10H2,1-2H3,(H,27,32).
What are the key properties of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide?
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide has a molecular weight of 449.95 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide is sourced from PubChem (CID 170519230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).