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

C27H27FN6O3 — CID 42601520

IUPAC1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC1(C)CN(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)[nH]c(=O)c2)c2ccc(F)cc21
InChIInChI=1S/C27H27FN6O3/c1-27(2)15-33(20-6-5-17(28)14-19(20)27)25(36)16-12-22(30-23(35)13-16)32-10-7-18(8-11-32)34-21-4-3-9-29-24(21)31-26(34)37/h3-6,9,12-14,18H,7-8,10-11,15H2,1-2H3,(H,30,35)(H,29,31,37)
InChIKeyLWJOCYNBTXLULS-UHFFFAOYSA-N
MW502.55 g/mol
LogP3.33
Rot. Bonds3

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

1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 42601520) has the molecular formula C27H27FN6O3 and a molecular weight of 502.55 g/mol. Its IUPAC name is 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID42601520
Molecular FormulaC27H27FN6O3
Molecular Weight502.55 g/mol
Exact Mass502.21
IUPAC Name1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCC1(C)CN(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)[nH]c(=O)c2)c2ccc(F)cc21
InChIInChI=1S/C27H27FN6O3/c1-27(2)15-33(20-6-5-17(28)14-19(20)27)25(36)16-12-22(30-23(35)13-16)32-10-7-18(8-11-32)34-21-4-3-9-29-24(21)31-26(34)37/h3-6,9,12-14,18H,7-8,10-11,15H2,1-2H3,(H,30,35)(H,29,31,37)
InChIKeyLWJOCYNBTXLULS-UHFFFAOYSA-N
XLogP3.33
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-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-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 42601520) is 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is CC1(C)CN(C(=O)c2cc(N3CCC(n4c(=O)[nH]c5ncccc54)CC3)[nH]c(=O)c2)c2ccc(F)cc21.
What is the InChIKey of 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is LWJOCYNBTXLULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O3/c1-27(2)15-33(20-6-5-17(28)14-19(20)27)25(36)16-12-22(30-23(35)13-16)32-10-7-18(8-11-32)34-21-4-3-9-29-24(21)31-26(34)37/h3-6,9,12-14,18H,7-8,10-11,15H2,1-2H3,(H,30,35)(H,29,31,37).
What are the key properties of 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 502.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(5-fluoro-3,3-dimethyl-2H-indole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 42601520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).