2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one

C23H21BrN6O — CID 22330006

IUPAC2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Br)cc2cnc(Nc3ccc(Nc4ccccc4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C23H21BrN6O/c24-19-12-15-13-26-23(29-21(15)30(22(19)31)18-8-4-5-9-18)28-20-11-10-17(14-25-20)27-16-6-2-1-3-7-16/h1-3,6-7,10-14,18,27H,4-5,8-9H2,(H,25,26,28,29)
InChIKeyULKGZICJKDSXKY-UHFFFAOYSA-N
MW477.37 g/mol
LogP5.55
Rot. Bonds5

About 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one

2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 22330006) has the molecular formula C23H21BrN6O and a molecular weight of 477.37 g/mol. Its IUPAC name is 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
PubChem CID22330006
Molecular FormulaC23H21BrN6O
Molecular Weight477.37 g/mol
Exact Mass476.10
IUPAC Name2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Br)cc2cnc(Nc3ccc(Nc4ccccc4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C23H21BrN6O/c24-19-12-15-13-26-23(29-21(15)30(22(19)31)18-8-4-5-9-18)28-20-11-10-17(14-25-20)27-16-6-2-1-3-7-16/h1-3,6-7,10-14,18,27H,4-5,8-9H2,(H,25,26,28,29)
InChIKeyULKGZICJKDSXKY-UHFFFAOYSA-N
XLogP5.55
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.37
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-8-cyclopentyl-2-[[5-[4-(diethylamino)butylamino]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 10239500
6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329978
N-[6-[(6-amino-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]acetamide
CID 18455535
N-[6-[[8-cyclopentyl-6-(hydroxymethyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]acetamide
CID 22329966
2-N-(6-bromo-8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-5-N-phenylpyridine-2,5-diamine
CID 90280668
2-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-8-cyclopentyl-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329937
8-cyclopentyl-6-(hydroxymethyl)-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329821
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-methylpiperazin-1-yl)-2-pyridinyl]amino]-N-phenylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 156634860
6-acetyl-8-cyclopentyl-2-[[5-(2-methoxyethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one;6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 90280590
8-cyclopentyl-2-[[5-(3,5-dimethylpiperazin-1-yl)-2-pyridinyl]amino]-6-ethylpyrido[2,3-d]pyrimidin-7-one
CID 22329819
6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
CID 141132964

Frequently Asked Questions

What is the IUPAC name of 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one (CID 22330006) is 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one is O=c1c(Br)cc2cnc(Nc3ccc(Nc4ccccc4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ULKGZICJKDSXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN6O/c24-19-12-15-13-26-23(29-21(15)30(22(19)31)18-8-4-5-9-18)28-20-11-10-17(14-25-20)27-16-6-2-1-3-7-16/h1-3,6-7,10-14,18,27H,4-5,8-9H2,(H,25,26,28,29).
What are the key properties of 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 477.37 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-anilino-2-pyridinyl)amino]-6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22330006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).