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

C21H25N7O — CID 5330262

IUPAC8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C21H25N7O/c29-19-8-5-15-13-24-21(26-20(15)28(19)16-3-1-2-4-16)25-18-7-6-17(14-23-18)27-11-9-22-10-12-27/h5-8,13-14,16,22H,1-4,9-12H2,(H,23,24,25,26)
InChIKeyIEQUHIKSZOVGIM-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.45
Rot. Bonds4

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

8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330262) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330262
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C21H25N7O/c29-19-8-5-15-13-24-21(26-20(15)28(19)16-3-1-2-4-16)25-18-7-6-17(14-23-18)27-11-9-22-10-12-27/h5-8,13-14,16,22H,1-4,9-12H2,(H,23,24,25,26)
InChIKeyIEQUHIKSZOVGIM-UHFFFAOYSA-N
XLogP2.45
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330262) is 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IEQUHIKSZOVGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c29-19-8-5-15-13-24-21(26-20(15)28(19)16-3-1-2-4-16)25-18-7-6-17(14-23-18)27-11-9-22-10-12-27/h5-8,13-14,16,22H,1-4,9-12H2,(H,23,24,25,26).
What are the key properties of 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 391.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).