[4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone

C28H31N9O2 — CID 155167716

IUPAC[4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1)N1CCOCC1
InChIInChI=1S/C28H31N9O2/c38-28(35-6-8-39-9-7-35)21-10-23(24-14-30-32-25(24)11-21)26-18-37(34-33-26)17-22-16-36-15-20(4-5-27(36)31-22)13-29-12-19-2-1-3-19/h4-5,10-11,14-16,18-19,29H,1-3,6-9,12-13,17H2,(H,30,32)
InChIKeyZPXJWJREDYVKJD-UHFFFAOYSA-N
MW525.62 g/mol
LogP2.88
Rot. Bonds8

About [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone

[4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 155167716) has the molecular formula C28H31N9O2 and a molecular weight of 525.62 g/mol. Its IUPAC name is [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone
PubChem CID155167716
Molecular FormulaC28H31N9O2
Molecular Weight525.62 g/mol
Exact Mass525.26
IUPAC Name[4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1)N1CCOCC1
InChIInChI=1S/C28H31N9O2/c38-28(35-6-8-39-9-7-35)21-10-23(24-14-30-32-25(24)11-21)26-18-37(34-33-26)17-22-16-36-15-20(4-5-27(36)31-22)13-29-12-19-2-1-3-19/h4-5,10-11,14-16,18-19,29H,1-3,6-9,12-13,17H2,(H,30,32)
InChIKeyZPXJWJREDYVKJD-UHFFFAOYSA-N
XLogP2.88
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.62
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-N-(2-hydroxyethyl)-1H-indazole-6-carboxamide
CID 155167545
1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
CID 155167611
4-[4-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-1H-indazol-6-yl]morpholine
CID 175276114
1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol
CID 155167449
1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
CID 177373572
1-cyclobutyl-N-[[2-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
CID 171084244
(Z)-2-[amino-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]amino]-1-(6-iodo-1H-indazol-4-yl)ethenamine
CID 176815749
N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride
CID 155702903
4-[1-[[6-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1-(oxan-2-yl)indazole-6-sulfinic acid
CID 155191170
6-(aziridin-1-yl)-4-[1-[[2-(3-cyclobutylpropyl)-1H-indol-6-yl]methyl]triazol-4-yl]-1H-indazole
CID 177373546
tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 171084209
2-[[4-(5-methoxy-1H-indazol-4-yl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 175276141

Frequently Asked Questions

What is the IUPAC name of [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone (CID 155167716) is [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1)N1CCOCC1.
What is the InChIKey of [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is ZPXJWJREDYVKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O2/c38-28(35-6-8-39-9-7-35)21-10-23(24-14-30-32-25(24)11-21)26-18-37(34-33-26)17-22-16-36-15-20(4-5-27(36)31-22)13-29-12-19-2-1-3-19/h4-5,10-11,14-16,18-19,29H,1-3,6-9,12-13,17H2,(H,30,32).
What are the key properties of [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone?
[4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 525.62 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155167716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).