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

C22H26N6O2 — CID 22329821

IUPAC8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(CO)cc2cnc(Nc3ccc(N4CCCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C22H26N6O2/c29-14-16-11-15-12-24-22(26-20(15)28(21(16)30)17-5-1-2-6-17)25-19-8-7-18(13-23-19)27-9-3-4-10-27/h7-8,11-13,17,29H,1-6,9-10,14H2,(H,23,24,25,26)
InChIKeyCSRIIOZYVDOZIR-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.14
Rot. Bonds5

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

8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 22329821) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID22329821
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(CO)cc2cnc(Nc3ccc(N4CCCC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C22H26N6O2/c29-14-16-11-15-12-24-22(26-20(15)28(21(16)30)17-5-1-2-6-17)25-19-8-7-18(13-23-19)27-9-3-4-10-27/h7-8,11-13,17,29H,1-6,9-10,14H2,(H,23,24,25,26)
InChIKeyCSRIIOZYVDOZIR-UHFFFAOYSA-N
XLogP3.14
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329937
N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
CID 22329966
8-cyclopentyl-2-[[5-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329819
4-[6-[[8-cyclopentyl-6-(ethoxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 22329773
7-cyclopentyl-2-[[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764115
7-cyclopentyl-2-[[5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764100
1-[6-[(6-benzyl-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]pyrrolidine-2-carboxylic acid
CID 22329943
8-cyclopentyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 167163071
7-cyclopentyl-2-[[5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 154034424
ethyl 8-cyclopentyl-7-oxo-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidine-6-carboxylate;hydrochloride
CID 10128284
8-cyclopentyl-6-(2-methylpropoxy)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 10152333
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 22329821) is 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is O=c1c(CO)cc2cnc(Nc3ccc(N4CCCC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CSRIIOZYVDOZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-14-16-11-15-12-24-22(26-20(15)28(21(16)30)17-5-1-2-6-17)25-19-8-7-18(13-23-19)27-9-3-4-10-27/h7-8,11-13,17,29H,1-6,9-10,14H2,(H,23,24,25,26).
What are the key properties of 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 406.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22329821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).