1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine

C25H30N6O — CID 121375942

IUPAC1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1noc(C)c1-c1cnc2nc(NCC3CCN(C)CC3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C25H30N6O/c1-17-23(18(2)32-29-17)21-13-22-24(26-15-21)28-25(27-14-19-9-11-30(3)12-10-19)31(22)16-20-7-5-4-6-8-20/h4-8,13,15,19H,9-12,14,16H2,1-3H3,(H,26,27,28)
InChIKeyGDAPGKQHGQRWMA-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.51
Rot. Bonds6

About 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine

1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 121375942) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID121375942
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCc1noc(C)c1-c1cnc2nc(NCC3CCN(C)CC3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C25H30N6O/c1-17-23(18(2)32-29-17)21-13-22-24(26-15-21)28-25(27-14-19-9-11-30(3)12-10-19)31(22)16-20-7-5-4-6-8-20/h4-8,13,15,19H,9-12,14,16H2,1-3H3,(H,26,27,28)
InChIKeyGDAPGKQHGQRWMA-UHFFFAOYSA-N
XLogP4.51
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 121375835
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
1-[[1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-yl]amino]-2-methylpropan-2-ol
CID 121375953
4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]phenol
CID 87056287
methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
CID 121418858
lithium;3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoic acid;methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate;hydroxide
CID 159553569
4-[1-(cyclobutylmethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375947
7-amino-3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzoxazol-2-one;3,5-dimethyl-4-[2-methyl-1-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
CID 161477240
4-(1-benzylpyrazolo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 121375892
1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
CID 87057244
2-[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)imidazo[4,5-b]pyridin-1-yl]methyl]phenoxy]-N-[2-[2-(2-piperidin-4-ylethoxy)ethoxy]ethyl]acetamide
CID 177247494
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-amine
CID 150175991

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 121375942) is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine is Cc1noc(C)c1-c1cnc2nc(NCC3CCN(C)CC3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is GDAPGKQHGQRWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-17-23(18(2)32-29-17)21-13-22-24(26-15-21)28-25(27-14-19-9-11-30(3)12-10-19)31(22)16-20-7-5-4-6-8-20/h4-8,13,15,19H,9-12,14,16H2,1-3H3,(H,26,27,28).
What are the key properties of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 430.56 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 121375942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).