1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C26H25N7O3 — CID 25266218

IUPAC1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1cccc2c1c(C(=O)c1cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn1)cn2C
InChIInChI=1S/C26H25N7O3/c1-31-14-17(23-19(31)5-3-7-21(23)36-2)24(34)18-13-22(29-15-28-18)32-11-8-16(9-12-32)33-20-6-4-10-27-25(20)30-26(33)35/h3-7,10,13-16H,8-9,11-12H2,1-2H3,(H,27,30,35)
InChIKeyXPFRQYPINXSGPQ-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.09
Rot. Bonds5

About 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25266218) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25266218
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1cccc2c1c(C(=O)c1cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn1)cn2C
InChIInChI=1S/C26H25N7O3/c1-31-14-17(23-19(31)5-3-7-21(23)36-2)24(34)18-13-22(29-15-28-18)32-11-8-16(9-12-32)33-20-6-4-10-27-25(20)30-26(33)35/h3-7,10,13-16H,8-9,11-12H2,1-2H3,(H,27,30,35)
InChIKeyXPFRQYPINXSGPQ-UHFFFAOYSA-N
XLogP3.09
TPSA110.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
(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
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-[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
CID 89009696
CID 89009696
2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 58386658
1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386505
1-[1-[6-(5,6-difluoro-3-methyl-2,3,6,7-tetrahydroindole-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 143808051
2-[1-[6-(1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-5-phenyl-4H-1,2,4-triazol-3-one
CID 135921520
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 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) is 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is COc1cccc2c1c(C(=O)c1cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)ncn1)cn2C.
What is the InChIKey of 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is XPFRQYPINXSGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-31-14-17(23-19(31)5-3-7-21(23)36-2)24(34)18-13-22(29-15-28-18)32-11-8-16(9-12-32)33-20-6-4-10-27-25(20)30-26(33)35/h3-7,10,13-16H,8-9,11-12H2,1-2H3,(H,27,30,35).
What are the key properties of 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 483.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(4-methoxy-1-methylindole-3-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25266218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).