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

C22H27N7O — CID 5330267

IUPAC8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C22H27N7O/c1-15-12-16-13-25-22(27-20(16)29(21(15)30)17-4-2-3-5-17)26-19-7-6-18(14-24-19)28-10-8-23-9-11-28/h6-7,12-14,17,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
InChIKeyMLUFVFBSMMPFNB-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.76
Rot. Bonds4

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

8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330267) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330267
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C22H27N7O/c1-15-12-16-13-25-22(27-20(16)29(21(15)30)17-4-2-3-5-17)26-19-7-6-18(14-24-19)28-10-8-23-9-11-28/h6-7,12-14,17,23H,2-5,8-11H2,1H3,(H,24,25,26,27)
InChIKeyMLUFVFBSMMPFNB-UHFFFAOYSA-N
XLogP2.76
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-6-methyl-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
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Narazaciclib
CID 56649281
Dalpiciclib
CID 86279927
Palbociclib hydrochloride
CID 11431660
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-Ethyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330199
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
2-(phenylamino)-8-propyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330226
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 5330267) is 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MLUFVFBSMMPFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-15-12-16-13-25-22(27-20(16)29(21(15)30)17-4-2-3-5-17)26-19-7-6-18(14-24-19)28-10-8-23-9-11-28/h6-7,12-14,17,23H,2-5,8-11H2,1H3,(H,24,25,26,27).
What are the key properties of 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 405.51 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-methyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).