6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C20H23BrN6O — CID 22329873

IUPAC6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N(C)C)cn3)ncc12
InChIInChI=1S/C20H23BrN6O/c1-12-15-11-23-20(24-16-9-8-14(10-22-16)26(2)3)25-18(15)27(19(28)17(12)21)13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,22,23,24,25)
InChIKeyRRKLALYYANVTSA-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.18
Rot. Bonds4

About 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 22329873) has the molecular formula C20H23BrN6O and a molecular weight of 443.35 g/mol. Its IUPAC name is 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID22329873
Molecular FormulaC20H23BrN6O
Molecular Weight443.35 g/mol
Exact Mass442.11
IUPAC Name6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N(C)C)cn3)ncc12
InChIInChI=1S/C20H23BrN6O/c1-12-15-11-23-20(24-16-9-8-14(10-22-16)26(2)3)25-18(15)27(19(28)17(12)21)13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,22,23,24,25)
InChIKeyRRKLALYYANVTSA-UHFFFAOYSA-N
XLogP4.18
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-methylacetamide
CID 22329907
6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329942
2-[[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]amino]-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 78357916
6-acetyl-2-[[5-[bis(2-methoxyethyl)amino]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330295
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
tert-butyl 4-[[6-[(6-bromo-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]methyl]piperazine-1-carboxylate
CID 174780321
2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidine-5-carboxylic acid
CID 162704900
6-[[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-3-carboxamide
CID 162704853
3-[2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethyl-methylamino]pyrimidin-5-yl]-N-hydroxyprop-2-ynamide
CID 162704818
2-[2-[[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-methylamino]ethoxy]-N-hydroxypyrimidine-5-carboxamide
CID 162704897
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
8-cyclopentyl-2-[[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-pyridinyl]amino]-6-iodo-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 170325817

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 22329873) is 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N(C)C)cn3)ncc12.
What is the InChIKey of 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RRKLALYYANVTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN6O/c1-12-15-11-23-20(24-16-9-8-14(10-22-16)26(2)3)25-18(15)27(19(28)17(12)21)13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,22,23,24,25).
What are the key properties of 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 443.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22329873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).