7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C21H22ClFN6O — CID 142482403

IUPAC7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccnc(C2CC2)c1-n1c(=O)nc(N2CCNC[C@@H]2C)c2cc(F)c(Cl)nc21
InChIInChI=1S/C21H22ClFN6O/c1-11-5-6-25-16(13-3-4-13)17(11)29-20-14(9-15(23)18(22)26-20)19(27-21(29)30)28-8-7-24-10-12(28)2/h5-6,9,12-13,24H,3-4,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyAMEWOHNVZAZIDB-LBPRGKRZSA-N
MW428.90 g/mol
LogP2.95
Rot. Bonds3

About 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 142482403) has the molecular formula C21H22ClFN6O and a molecular weight of 428.90 g/mol. Its IUPAC name is 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
PubChem CID142482403
Molecular FormulaC21H22ClFN6O
Molecular Weight428.90 g/mol
Exact Mass428.15
IUPAC Name7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
SMILESCc1ccnc(C2CC2)c1-n1c(=O)nc(N2CCNC[C@@H]2C)c2cc(F)c(Cl)nc21
InChIInChI=1S/C21H22ClFN6O/c1-11-5-6-25-16(13-3-4-13)17(11)29-20-14(9-15(23)18(22)26-20)19(27-21(29)30)28-8-7-24-10-12(28)2/h5-6,9,12-13,24H,3-4,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyAMEWOHNVZAZIDB-LBPRGKRZSA-N
XLogP2.95
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethyl-3-pyridinyl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 167088579
6-fluoro-7-(2-fluoro-6-propan-2-ylsulfanylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155774839
6-fluoro-7-[2-fluoro-6-(hydroxymethyl)phenyl]-4-[(2S)-2-methylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155774954
methyl 3-[6-cyclopropyl-4-(2-methylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-4-fluorobenzoate
CID 175307134
4,6,7-trichloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 135378722
6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-(2-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one
CID 146235654
6,7-dicyclopropyl-1-(2,6-diethylphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 146235652
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
6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(6-fluoro-1-benzofuran-7-yl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 155774902
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
7-chloro-6-fluoro-1-[4-(2-hydroxyethyl)-2-propan-2-yl-3-pyridinyl]-4-[(2S)-2-methylpiperidin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 160877178

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 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) is 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is Cc1ccnc(C2CC2)c1-n1c(=O)nc(N2CCNC[C@@H]2C)c2cc(F)c(Cl)nc21.
What is the InChIKey of 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is AMEWOHNVZAZIDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H22ClFN6O/c1-11-5-6-25-16(13-3-4-13)17(11)29-20-14(9-15(23)18(22)26-20)19(27-21(29)30)28-8-7-24-10-12(28)2/h5-6,9,12-13,24H,3-4,7-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 428.90 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-cyclopropyl-4-methyl-3-pyridinyl)-6-fluoro-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 142482403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).