(4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone

C27H27N7O2 — CID 143791419

IUPAC(4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
SMILESC=C1Nc2ncccc2N1C1CCN(c2cc(C(=O)c3cn(C)c4cccc(OC)c34)ncn2)CC1
InChIInChI=1S/C27H27N7O2/c1-17-31-27-22(7-5-11-28-27)34(17)18-9-12-33(13-10-18)24-14-20(29-16-30-24)26(35)19-15-32(2)21-6-4-8-23(36-3)25(19)21/h4-8,11,14-16,18H,1,9-10,12-13H2,2-3H3,(H,28,31)
InChIKeyLAWJGIDBHTVGRL-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.97
Rot. Bonds5

About (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone

(4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone (PubChem CID 143791419) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
PubChem CID143791419
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name(4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
SMILESC=C1Nc2ncccc2N1C1CCN(c2cc(C(=O)c3cn(C)c4cccc(OC)c34)ncn2)CC1
InChIInChI=1S/C27H27N7O2/c1-17-31-27-22(7-5-11-28-27)34(17)18-9-12-33(13-10-18)24-14-20(29-16-30-24)26(35)19-15-32(2)21-6-4-8-23(36-3)25(19)21/h4-8,11,14-16,18H,1,9-10,12-13H2,2-3H3,(H,28,31)
InChIKeyLAWJGIDBHTVGRL-UHFFFAOYSA-N
XLogP3.97
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25266218
1-[1-[6-(5-fluoro-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25271439
methyl [1-methyl-3-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidine-4-carbonyl]indol-5-yl] carbonate
CID 68869620
2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-phenyl-4H-1,2,4-triazol-3-one
CID 135921520
1-[1-[6-[5-[(1Z)-buta-1,3-dienyl]-1-methylpyrazole-4-carbonyl]pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 143791445
2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
CID 107360355
(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone
CID 87604851
[2-[ethyl(methyl)amino]-3-methyl-5-[6-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidine-4-carbonyl]phenyl] formate
CID 143791216
1-[1-[6-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386431
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600269

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone?
The IUPAC name of (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone (CID 143791419) is (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone is C=C1Nc2ncccc2N1C1CCN(c2cc(C(=O)c3cn(C)c4cccc(OC)c34)ncn2)CC1.
What is the InChIKey of (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone?
The InChIKey is LAWJGIDBHTVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-17-31-27-22(7-5-11-28-27)34(17)18-9-12-33(13-10-18)24-14-20(29-16-30-24)26(35)19-15-32(2)21-6-4-8-23(36-3)25(19)21/h4-8,11,14-16,18H,1,9-10,12-13H2,2-3H3,(H,28,31).
What are the key properties of (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone?
(4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone has a molecular weight of 481.56 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylindol-3-yl)-[6-[4-(2-methylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methanone is sourced from PubChem (CID 143791419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).