1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C27H29FN6O2 — CID 71012128

IUPAC1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC1(C)CN(C(=O)C2=NCCC(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)=C2)c2ccc(F)cc21
InChIInChI=1S/C27H29FN6O2/c1-27(2)16-33(22-6-5-17(28)14-20(22)27)25(35)21-15-19(7-11-29-21)32-12-8-18(9-13-32)34-23-4-3-10-30-24(23)31-26(34)36/h3-6,10,14-15,18H,7-9,11-13,16H2,1-2H3,(H,30,31,36)
InChIKeyBBJSRDWQONCZGL-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.55
Rot. Bonds3

About 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 71012128) has the molecular formula C27H29FN6O2 and a molecular weight of 488.57 g/mol. Its IUPAC name is 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID71012128
Molecular FormulaC27H29FN6O2
Molecular Weight488.57 g/mol
Exact Mass488.23
IUPAC Name1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC1(C)CN(C(=O)C2=NCCC(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)=C2)c2ccc(F)cc21
InChIInChI=1S/C27H29FN6O2/c1-27(2)16-33(22-6-5-17(28)14-20(22)27)25(35)21-15-19(7-11-29-21)32-12-8-18(9-13-32)34-23-4-3-10-30-24(23)31-26(34)36/h3-6,10,14-15,18H,7-9,11-13,16H2,1-2H3,(H,30,31,36)
InChIKeyBBJSRDWQONCZGL-UHFFFAOYSA-N
XLogP3.55
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 71012128) is 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC1(C)CN(C(=O)C2=NCCC(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)=C2)c2ccc(F)cc21.
What is the InChIKey of 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BBJSRDWQONCZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O2/c1-27(2)16-33(22-6-5-17(28)14-20(22)27)25(35)21-15-19(7-11-29-21)32-12-8-18(9-13-32)34-23-4-3-10-30-24(23)31-26(34)36/h3-6,10,14-15,18H,7-9,11-13,16H2,1-2H3,(H,30,31,36).
What are the key properties of 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 488.57 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-2,3-dihydropyridin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71012128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).