4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid

C25H24N6O5 — CID 11848698

IUPAC4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid
SMILESCn1cc(-c2ccc(C(=O)O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C25H24N6O5/c1-29-14-17(15-4-6-16(7-5-15)23(33)34)13-19(22(29)32)27-24(35)30-11-8-18(9-12-30)31-20-3-2-10-26-21(20)28-25(31)36/h2-7,10,13-14,18H,8-9,11-12H2,1H3,(H,27,35)(H,33,34)(H,26,28,36)
InChIKeyJOGZBTNLTXACOR-UHFFFAOYSA-N
MW488.50 g/mol
LogP2.66
Rot. Bonds4

About 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid

4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid (PubChem CID 11848698) has the molecular formula C25H24N6O5 and a molecular weight of 488.50 g/mol. Its IUPAC name is 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid
PubChem CID11848698
Molecular FormulaC25H24N6O5
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid
SMILESCn1cc(-c2ccc(C(=O)O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O
InChIInChI=1S/C25H24N6O5/c1-29-14-17(15-4-6-16(7-5-15)23(33)34)13-19(22(29)32)27-24(35)30-11-8-18(9-12-30)31-20-3-2-10-26-21(20)28-25(31)36/h2-7,10,13-14,18H,8-9,11-12H2,1H3,(H,27,35)(H,33,34)(H,26,28,36)
InChIKeyJOGZBTNLTXACOR-UHFFFAOYSA-N
XLogP2.66
TPSA142.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid (CID 11848698) is 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid is Cn1cc(-c2ccc(C(=O)O)cc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O.
What is the InChIKey of 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid?
The InChIKey is JOGZBTNLTXACOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O5/c1-29-14-17(15-4-6-16(7-5-15)23(33)34)13-19(22(29)32)27-24(35)30-11-8-18(9-12-30)31-20-3-2-10-26-21(20)28-25(31)36/h2-7,10,13-14,18H,8-9,11-12H2,1H3,(H,27,35)(H,33,34)(H,26,28,36).
What are the key properties of 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid?
4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid has a molecular weight of 488.50 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-6-oxo-5-[[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]amino]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 11848698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).