6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid

C24H29N7O3 — CID 22329812

IUPAC6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid
SMILESCCc1cc2cnc(Nc3ccc(N4CCNCC4)c(C(=O)O)n3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H29N7O3/c1-2-15-13-16-14-26-24(29-21(16)31(22(15)32)17-5-3-4-6-17)28-19-8-7-18(20(27-19)23(33)34)30-11-9-25-10-12-30/h7-8,13-14,17,25H,2-6,9-12H2,1H3,(H,33,34)(H,26,27,28,29)
InChIKeyIEKQLBSWILTGJY-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.72
Rot. Bonds6

About 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid

6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid (PubChem CID 22329812) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid
PubChem CID22329812
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid
SMILESCCc1cc2cnc(Nc3ccc(N4CCNCC4)c(C(=O)O)n3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C24H29N7O3/c1-2-15-13-16-14-26-24(29-21(16)31(22(15)32)17-5-3-4-6-17)28-19-8-7-18(20(27-19)23(33)34)30-11-9-25-10-12-30/h7-8,13-14,17,25H,2-6,9-12H2,1H3,(H,33,34)(H,26,27,28,29)
InChIKeyIEKQLBSWILTGJY-UHFFFAOYSA-N
XLogP2.72
TPSA125.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid (CID 22329812) is 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid is CCc1cc2cnc(Nc3ccc(N4CCNCC4)c(C(=O)O)n3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid?
The InChIKey is IEKQLBSWILTGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-2-15-13-16-14-26-24(29-21(16)31(22(15)32)17-5-3-4-6-17)28-19-8-7-18(20(27-19)23(33)34)30-11-9-25-10-12-30/h7-8,13-14,17,25H,2-6,9-12H2,1H3,(H,33,34)(H,26,27,28,29).
What are the key properties of 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid?
6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid has a molecular weight of 463.54 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-cyclopentyl-6-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-piperazin-1-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 22329812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).