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

C22H27N7O2 — CID 5330269

IUPAC8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(CO)cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C22H27N7O2/c30-14-16-11-15-12-25-22(27-20(15)29(21(16)31)17-3-1-2-4-17)26-19-6-5-18(13-24-19)28-9-7-23-8-10-28/h5-6,11-13,17,23,30H,1-4,7-10,14H2,(H,24,25,26,27)
InChIKeyOPSHHKHKLBBJEA-UHFFFAOYSA-N
MW421.51 g/mol
LogP1.95
Rot. Bonds5

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

8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330269) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330269
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(CO)cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C22H27N7O2/c30-14-16-11-15-12-25-22(27-20(15)29(21(16)31)17-3-1-2-4-17)26-19-6-5-18(13-24-19)28-9-7-23-8-10-28/h5-6,11-13,17,23,30H,1-4,7-10,14H2,(H,24,25,26,27)
InChIKeyOPSHHKHKLBBJEA-UHFFFAOYSA-N
XLogP1.95
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

Palbociclib
CID 5330286
Palbociclib hydrochloride
CID 11431660
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68
CID 5330254
8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
6-bromo-8-cyclopentyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330264
8-cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330265
Pyrido-[2,3-d]-pyrimidin-7-one 23
CID 5330266
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267
Pyrido-[2,3-d]-pyrimidin-7-one 25
CID 5330268

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330269) is 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is O=c1c(CO)cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OPSHHKHKLBBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c30-14-16-11-15-12-25-22(27-20(15)29(21(16)31)17-3-1-2-4-17)26-19-6-5-18(13-24-19)28-9-7-23-8-10-28/h5-6,11-13,17,23,30H,1-4,7-10,14H2,(H,24,25,26,27).
What are the key properties of 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 421.51 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).