6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C23H26BrN5O2 — CID 10227878

IUPAC6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12
InChIInChI=1S/C23H26BrN5O2/c1-15-19-14-25-23(26-16-6-8-17(9-7-16)28-10-12-31-13-11-28)27-21(19)29(22(30)20(15)24)18-4-2-3-5-18/h6-9,14,18H,2-5,10-13H2,1H3,(H,25,26,27)
InChIKeyHGMKBECZLAWUAP-UHFFFAOYSA-N
MW484.40 g/mol
LogP4.56
Rot. Bonds4

About 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one

6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10227878) has the molecular formula C23H26BrN5O2 and a molecular weight of 484.40 g/mol. Its IUPAC name is 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID10227878
Molecular FormulaC23H26BrN5O2
Molecular Weight484.40 g/mol
Exact Mass483.13
IUPAC Name6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12
InChIInChI=1S/C23H26BrN5O2/c1-15-19-14-25-23(26-16-6-8-17(9-7-16)28-10-12-31-13-11-28)27-21(19)29(22(30)20(15)24)18-4-2-3-5-18/h6-9,14,18H,2-5,10-13H2,1H3,(H,25,26,27)
InChIKeyHGMKBECZLAWUAP-UHFFFAOYSA-N
XLogP4.56
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-8-cyclopentyl-5-methyl-2-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10166653
6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329942
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
2-[4-(3-aminopyrrolidin-1-yl)-3-chloroanilino]-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 10208074
1-cyclopentyl-6-(4-morpholin-4-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 59686676
2-[4-(3-aminopyrrolidin-1-yl)-3-fluoroanilino]-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 10141784
2-[[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]amino]-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 78357916
6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 22329873
8-cyclopentyl-2-[4-(3-hydroxypyrrolidin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330345
methyl 8-cyclopentyl-5-methyl-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 11376429
6-bromo-8-cyclopentyl-4-methyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 25096679

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 10227878) is 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12.
What is the InChIKey of 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HGMKBECZLAWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5O2/c1-15-19-14-25-23(26-16-6-8-17(9-7-16)28-10-12-31-13-11-28)27-21(19)29(22(30)20(15)24)18-4-2-3-5-18/h6-9,14,18H,2-5,10-13H2,1H3,(H,25,26,27).
What are the key properties of 6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-cyclopentyl-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 484.40 g/mol, XLogP of 4.56, 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-5-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10227878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).