1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole

C37H35N9O2 — CID 158643062

IUPAC1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(N)c2ccn(Cc3ccccc3)c2n1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccncc3)c2c1
InChIInChI=1S/C19H18N4O.C18H17N5O/c1-12-18(13(2)24-22-12)17-10-16(20)15-8-9-23(19(15)21-17)11-14-6-4-3-5-7-14;1-11-17(12(2)24-22-11)15-8-16-18(20-9-15)21-13(3)23(16)10-14-4-6-19-7-5-14/h3-10H,11H2,1-2H3,(H2,20,21);4-9H,10H2,1-3H3
InChIKeyIAPXZYCEZSJBAA-UHFFFAOYSA-N
MW637.75 g/mol
LogP7.39
Rot. Bonds6

About 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole

1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole (PubChem CID 158643062) has the molecular formula C37H35N9O2 and a molecular weight of 637.75 g/mol. Its IUPAC name is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole.

Molecular Properties

Compound Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
PubChem CID158643062
Molecular FormulaC37H35N9O2
Molecular Weight637.75 g/mol
Exact Mass637.29
IUPAC Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(N)c2ccn(Cc3ccccc3)c2n1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccncc3)c2c1
InChIInChI=1S/C19H18N4O.C18H17N5O/c1-12-18(13(2)24-22-12)17-10-16(20)15-8-9-23(19(15)21-17)11-14-6-4-3-5-7-14;1-11-17(12(2)24-22-11)15-8-16-18(20-9-15)21-13(3)23(16)10-14-4-6-19-7-5-14/h3-10H,11H2,1-2H3,(H2,20,21);4-9H,10H2,1-3H3
InChIKeyIAPXZYCEZSJBAA-UHFFFAOYSA-N
XLogP7.39
TPSA139.50 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500637.75
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole with MolForge

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Related Compounds

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-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]phenol
CID 87056287
4-[1-benzyl-2-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375800
methyl 3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]benzoate
CID 121418858
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
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
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
1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 121375835
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
4-[1-(cyclobutylmethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375947
4-(1-benzylpyrazolo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 121375892
4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;but-1-ene;3,5-dimethyl-4-[2-methyl-1-[[4-(oxiran-2-ylmethyl)phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-1-[(4-prop-2-enylphenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole;methane
CID 158192338

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole (CID 158643062) is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole.
What is the SMILES notation for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The canonical SMILES for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole is Cc1noc(C)c1-c1cc(N)c2ccn(Cc3ccccc3)c2n1.Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccncc3)c2c1.
What is the InChIKey of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
The InChIKey is IAPXZYCEZSJBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O.C18H17N5O/c1-12-18(13(2)24-22-12)17-10-16(20)15-8-9-23(19(15)21-17)11-14-6-4-3-5-7-14;1-11-17(12(2)24-22-11)15-8-16-18(20-9-15)21-13(3)23(16)10-14-4-6-19-7-5-14/h3-10H,11H2,1-2H3,(H2,20,21);4-9H,10H2,1-3H3.
What are the key properties of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole?
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole has a molecular weight of 637.75 g/mol, XLogP of 7.39, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole is sourced from PubChem (CID 158643062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).