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

C21H25ClFN7O — CID 10216906

IUPAC8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCl.O=c1c(F)cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C21H24FN7O.ClH/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28;/h5-6,11-13,15,23H,1-4,7-10H2,(H,24,25,26,27);1H
InChIKeyBWQCRPSZHRGYAS-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.02
Rot. Bonds4

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

8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 10216906) has the molecular formula C21H25ClFN7O and a molecular weight of 445.93 g/mol. Its IUPAC name is 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
PubChem CID10216906
Molecular FormulaC21H25ClFN7O
Molecular Weight445.93 g/mol
Exact Mass445.18
IUPAC Name8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCl.O=c1c(F)cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C21H24FN7O.ClH/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28;/h5-6,11-13,15,23H,1-4,7-10H2,(H,24,25,26,27);1H
InChIKeyBWQCRPSZHRGYAS-UHFFFAOYSA-N
XLogP3.02
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The IUPAC name of 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 10216906) is 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride is Cl.O=c1c(F)cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The InChIKey is BWQCRPSZHRGYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O.ClH/c22-17-11-14-12-25-21(27-19(14)29(20(17)30)15-3-1-2-4-15)26-18-6-5-16(13-24-18)28-9-7-23-8-10-28;/h5-6,11-13,15,23H,1-4,7-10H2,(H,24,25,26,27);1H.
What are the key properties of 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 445.93 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 10216906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).