8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

C23H29N7O — CID 5330268

IUPAC8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C23H29N7O/c1-2-16-13-17-14-26-23(28-21(17)30(22(16)31)18-5-3-4-6-18)27-20-8-7-19(15-25-20)29-11-9-24-10-12-29/h7-8,13-15,18,24H,2-6,9-12H2,1H3,(H,25,26,27,28)
InChIKeyUCQQUALXTHNJFW-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.02
Rot. Bonds5

About 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330268) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330268
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C23H29N7O/c1-2-16-13-17-14-26-23(28-21(17)30(22(16)31)18-5-3-4-6-18)27-20-8-7-19(15-25-20)29-11-9-24-10-12-29/h7-8,13-15,18,24H,2-6,9-12H2,1H3,(H,25,26,27,28)
InChIKeyUCQQUALXTHNJFW-UHFFFAOYSA-N
XLogP3.02
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330268) is 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is CCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UCQQUALXTHNJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-2-16-13-17-14-26-23(28-21(17)30(22(16)31)18-5-3-4-6-18)27-20-8-7-19(15-25-20)29-11-9-24-10-12-29/h7-8,13-15,18,24H,2-6,9-12H2,1H3,(H,25,26,27,28).
What are the key properties of 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 419.53 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).