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

C22H26N6O — CID 22329937

IUPAC2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc2cnc(Nc3ccc(N4CCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C22H26N6O/c1-2-15-12-16-13-24-22(25-19-9-8-18(14-23-19)27-10-5-11-27)26-20(16)28(21(15)29)17-6-3-4-7-17/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,23,24,25,26)
InChIKeySQZKMAZDNSDTJA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.82
Rot. Bonds5

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

2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 22329937) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID22329937
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc2cnc(Nc3ccc(N4CCC4)cn3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C22H26N6O/c1-2-15-12-16-13-24-22(25-19-9-8-18(14-23-19)27-10-5-11-27)26-20(16)28(21(15)29)17-6-3-4-7-17/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,23,24,25,26)
InChIKeySQZKMAZDNSDTJA-UHFFFAOYSA-N
XLogP3.82
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329821
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
8-cyclopentyl-2-[[5-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 167163071
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
1-[6-[(6-benzyl-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]pyrrolidine-2-carboxylic acid
CID 22329943
7-cyclopentyl-2-[[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764115
N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
CID 22329966
7-cyclopentyl-2-[[5-[4-(2-ethylbutyl)piperazin-1-yl]-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 142764110
7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one (CID 22329937) is 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one is CCc1cc2cnc(Nc3ccc(N4CCC4)cn3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SQZKMAZDNSDTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-2-15-12-16-13-24-22(25-19-9-8-18(14-23-19)27-10-5-11-27)26-20(16)28(21(15)29)17-6-3-4-7-17/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,23,24,25,26).
What are the key properties of 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one?
2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 390.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22329937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).