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

C22H19ClFN5OS — CID 155727100

IUPAC4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCSc1ncccc1-c1nc2c(cc1F)c(Cl)nc(=O)n2-c1c(C)ccnc1C(C)C
InChIInChI=1S/C22H19ClFN5OS/c1-11(2)16-18(12(3)7-9-25-16)29-20-14(19(23)28-22(29)30)10-15(24)17(27-20)13-6-5-8-26-21(13)31-4/h5-11H,1-4H3
InChIKeyOHHPOSHWWOLUJY-UHFFFAOYSA-N
MW455.95 g/mol
LogP5.18
Rot. Bonds4

About 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

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 (PubChem CID 155727100) has the molecular formula C22H19ClFN5OS and a molecular weight of 455.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID155727100
Molecular FormulaC22H19ClFN5OS
Molecular Weight455.95 g/mol
Exact Mass455.10
IUPAC Name4-chloro-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCSc1ncccc1-c1nc2c(cc1F)c(Cl)nc(=O)n2-c1c(C)ccnc1C(C)C
InChIInChI=1S/C22H19ClFN5OS/c1-11(2)16-18(12(3)7-9-25-16)29-20-14(19(23)28-22(29)30)10-15(24)17(27-20)13-6-5-8-26-21(13)31-4/h5-11H,1-4H3
InChIKeyOHHPOSHWWOLUJY-UHFFFAOYSA-N
XLogP5.18
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.95
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

CID 163976320
CID 163976320
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
1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 153278613
7-(3-amino-2,6-dichloro-4,5-difluorophenyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one
CID 163716638
4,7-dichloro-1-[2-(1,1-difluoroethyl)-4-methyl-3-pyridinyl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
CID 156697785
7-(3-amino-2,6-dichloro-4,5-difluorocyclohexa-1,5-dien-1-yl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidin-2-one
CID 164957024
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 175891247
7-(2-amino-6-fluorophenyl)-6-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methylsulfanyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methylsulfonyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-methylsulfanyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one;6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-methylsulfanyl-2-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 165005379
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1-prop-2-enoylazetidin-3-yl)amino]pyrido[2,3-d]pyrimidin-2-one
CID 146235182
6-bromo-4-chloro-7-iodo-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
CID 164523585
tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
CID 146235933
4-[(2S,5R)-4-but-2-ynoyl-2,5-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 153292648

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CSc1ncccc1-c1nc2c(cc1F)c(Cl)nc(=O)n2-c1c(C)ccnc1C(C)C.
What is the InChIKey of 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?
The InChIKey is OHHPOSHWWOLUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5OS/c1-11(2)16-18(12(3)7-9-25-16)29-20-14(19(23)28-22(29)30)10-15(24)17(27-20)13-6-5-8-26-21(13)31-4/h5-11H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 455.95 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155727100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).