6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

C23H25BrN6O3 — CID 22329942

IUPAC6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(C(=O)N4CCOCC4)cn3)ncc12
InChIInChI=1S/C23H25BrN6O3/c1-14-17-13-26-23(28-20(17)30(22(32)19(14)24)16-4-2-3-5-16)27-18-7-6-15(12-25-18)21(31)29-8-10-33-11-9-29/h6-7,12-13,16H,2-5,8-11H2,1H3,(H,25,26,27,28)
InChIKeyWBJBVOQAWZBWRF-UHFFFAOYSA-N
MW513.40 g/mol
LogP3.59
Rot. Bonds4

About 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 22329942) has the molecular formula C23H25BrN6O3 and a molecular weight of 513.40 g/mol. Its IUPAC name is 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID22329942
Molecular FormulaC23H25BrN6O3
Molecular Weight513.40 g/mol
Exact Mass512.12
IUPAC Name6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(C(=O)N4CCOCC4)cn3)ncc12
InChIInChI=1S/C23H25BrN6O3/c1-14-17-13-26-23(28-20(17)30(22(32)19(14)24)16-4-2-3-5-16)27-18-7-6-15(12-25-18)21(31)29-8-10-33-11-9-29/h6-7,12-13,16H,2-5,8-11H2,1H3,(H,25,26,27,28)
InChIKeyWBJBVOQAWZBWRF-UHFFFAOYSA-N
XLogP3.59
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]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-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 10227878
6-bromo-8-cyclopentyl-2-[[5-(dimethylamino)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 22329873
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 5330303
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-[[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]amino]-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 78357916
6-acetyl-8-cyclopentyl-2-[[5-[4-[4-(2-hydroxyacetyl)benzoyl]piperazin-1-yl]-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 158021764
6-acetyl-8-cyclopentyl-5-methyl-2-[(5-pyrrolidin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 10173482
4-[6-[[6-bromo-5-(bromomethyl)-8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 175022940
N-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-N-methylacetamide
CID 22329907
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]benzaldehyde
CID 129276161
6-acetyl-2-[[5-[4-(4-acetylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 118699829
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 22329942) is 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(C(=O)N4CCOCC4)cn3)ncc12.
What is the InChIKey of 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WBJBVOQAWZBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN6O3/c1-14-17-13-26-23(28-20(17)30(22(32)19(14)24)16-4-2-3-5-16)27-18-7-6-15(12-25-18)21(31)29-8-10-33-11-9-29/h6-7,12-13,16H,2-5,8-11H2,1H3,(H,25,26,27,28).
What are the key properties of 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 513.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclopentyl-5-methyl-2-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 22329942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).