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

C21H27ClN8O — CID 11374140

IUPAC6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCl.Nc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C21H26N8O.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,1-4,7-10,22H2,(H,24,25,26,27);1H
InChIKeyLNWBFIONGCLDNM-UHFFFAOYSA-N
MW442.96 g/mol
LogP2.46
Rot. Bonds4

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

6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride (PubChem CID 11374140) has the molecular formula C21H27ClN8O and a molecular weight of 442.96 g/mol. Its IUPAC name is 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
PubChem CID11374140
Molecular FormulaC21H27ClN8O
Molecular Weight442.96 g/mol
Exact Mass442.20
IUPAC Name6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
SMILESCl.Nc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C21H26N8O.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,1-4,7-10,22H2,(H,24,25,26,27);1H
InChIKeyLNWBFIONGCLDNM-UHFFFAOYSA-N
XLogP2.46
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.96
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The IUPAC name of 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride (CID 11374140) is 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride is Cl.Nc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
The InChIKey is LNWBFIONGCLDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O.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,1-4,7-10,22H2,(H,24,25,26,27);1H.
What are the key properties of 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride?
6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride has a molecular weight of 442.96 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-cyclopentyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 11374140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).