4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one

C15H9Cl2F3N4O — CID 156697785

IUPAC4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccnc(C(C)(F)F)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C15H9Cl2F3N4O/c1-6-3-4-21-10(15(2,19)20)9(6)24-13-7(11(16)23-14(24)25)5-8(18)12(17)22-13/h3-5H,1-2H3
InChIKeyFQPZAEXBFZCPSG-UHFFFAOYSA-N
MW389.16 g/mol
LogP4.04
Rot. Bonds2

About 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one

4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one (PubChem CID 156697785) has the molecular formula C15H9Cl2F3N4O and a molecular weight of 389.16 g/mol. Its IUPAC name is 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
PubChem CID156697785
Molecular FormulaC15H9Cl2F3N4O
Molecular Weight389.16 g/mol
Exact Mass388.01
IUPAC Name4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccnc(C(C)(F)F)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21
InChIInChI=1S/C15H9Cl2F3N4O/c1-6-3-4-21-10(15(2,19)20)9(6)24-13-7(11(16)23-14(24)25)5-8(18)12(17)22-13/h3-5H,1-2H3
InChIKeyFQPZAEXBFZCPSG-UHFFFAOYSA-N
XLogP4.04
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
4,7-dichloro-6-fluoro-1-(2-methoxy-6-methylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167088612
4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 135378722
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
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
tert-butyl (3S)-4-[7-chloro-1-[2-(difluoromethyl)-4-methyl-3-pyridinyl]-6-fluoro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 175116712
tert-butyl 4-[7-chloro-1-[2-(difluoromethyl)-4-methyl-3-pyridinyl]-6-fluoro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 175116713
CID 163976320
CID 163976320
7-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-(2,3,4,5-tetrafluoro-6-methoxyphenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 169100164
tert-butyl (3S)-4-[7-chloro-1-(2,6-dimethylphenyl)-6-fluoro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 167088617
7-chloro-6-fluoro-1-(2-methylnaphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 167088494
2-tert-butyl-4-[6-chloro-1-(2-ethyl-4-methyl-3-pyridinyl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 175011404

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one (CID 156697785) is 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one is Cc1ccnc(C(C)(F)F)c1-n1c(=O)nc(Cl)c2cc(F)c(Cl)nc21.
What is the InChIKey of 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is FQPZAEXBFZCPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N4O/c1-6-3-4-21-10(15(2,19)20)9(6)24-13-7(11(16)23-14(24)25)5-8(18)12(17)22-13/h3-5H,1-2H3.
What are the key properties of 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one?
4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 389.16 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 156697785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).