4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C16H11Cl3N4O — CID 135378722

IUPAC4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccnc(C2CC2)c1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C16H11Cl3N4O/c1-7-4-5-20-11(8-2-3-8)12(7)23-15-9(13(18)22-16(23)24)6-10(17)14(19)21-15/h4-6,8H,2-3H2,1H3
InChIKeyKBKKMLUBYLYXLN-UHFFFAOYSA-N
MW381.65 g/mol
LogP4.32
Rot. Bonds2

About 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 135378722) has the molecular formula C16H11Cl3N4O and a molecular weight of 381.65 g/mol. Its IUPAC name is 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID135378722
Molecular FormulaC16H11Cl3N4O
Molecular Weight381.65 g/mol
Exact Mass380.00
IUPAC Name4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccnc(C2CC2)c1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21
InChIInChI=1S/C16H11Cl3N4O/c1-7-4-5-20-11(8-2-3-8)12(7)23-15-9(13(18)22-16(23)24)6-10(17)14(19)21-15/h4-6,8H,2-3H2,1H3
InChIKeyKBKKMLUBYLYXLN-UHFFFAOYSA-N
XLogP4.32
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.65
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one with MolForge

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Related Compounds

7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 142482403
4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
CID 156697785
4,7-dichloro-6-fluoro-1-[4-methyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]-3-pyridinyl]pyrido[2,3-d]pyrimidin-2-one
CID 156697793
4-[6,7-dichloro-1-(2-ethyl-4-methyl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 135378726
tert-butyl 8-[6,7-dichloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164523662
6-chloro-7-cyclopropyl-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 153292749
2,5,6-trichloro-N-[(2-cyclopropyl-4-methyl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135378713
4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235349
tert-butyl 4-[6,7-dichloro-1-(2-ethyl-4-methyl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 135378697
4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155727100
4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167088612
6-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 158572788

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 135378722) is 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is Cc1ccnc(C2CC2)c1-n1c(=O)nc(Cl)c2cc(Cl)c(Cl)nc21.
What is the InChIKey of 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is KBKKMLUBYLYXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N4O/c1-7-4-5-20-11(8-2-3-8)12(7)23-15-9(13(18)22-16(23)24)6-10(17)14(19)21-15/h4-6,8H,2-3H2,1H3.
What are the key properties of 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?
4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 381.65 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 135378722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).