3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one

C20H15ClFN5O — CID 146299202

IUPAC3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
SMILESO=c1[nH]c(C2CC2)c(Nc2ncnc3[nH]ccc23)cc1-c1cc(Cl)ccc1F
InChIInChI=1S/C20H15ClFN5O/c21-11-3-4-15(22)13(7-11)14-8-16(17(10-1-2-10)27-20(14)28)26-19-12-5-6-23-18(12)24-9-25-19/h3-10H,1-2H2,(H,27,28)(H2,23,24,25,26)
InChIKeyJAGLCQAZAHYDRP-UHFFFAOYSA-N
MW395.83 g/mol
LogP4.73
Rot. Bonds4

About 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one

3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one (PubChem CID 146299202) has the molecular formula C20H15ClFN5O and a molecular weight of 395.83 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
PubChem CID146299202
Molecular FormulaC20H15ClFN5O
Molecular Weight395.83 g/mol
Exact Mass395.09
IUPAC Name3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
SMILESO=c1[nH]c(C2CC2)c(Nc2ncnc3[nH]ccc23)cc1-c1cc(Cl)ccc1F
InChIInChI=1S/C20H15ClFN5O/c21-11-3-4-15(22)13(7-11)14-8-16(17(10-1-2-10)27-20(14)28)26-19-12-5-6-23-18(12)24-9-25-19/h3-10H,1-2H2,(H,27,28)(H2,23,24,25,26)
InChIKeyJAGLCQAZAHYDRP-UHFFFAOYSA-N
XLogP4.73
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 153392216
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382
3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one
CID 146296469
3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
CID 146299182
methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
CID 146296322
N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875231
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-[3-(trifluoromethyl)-1H-isoindol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159429783
5-[(3-acetyl-4-pyridinyl)amino]-3-(5-chloro-2-fluorophenyl)-6-(oxetan-3-yl)-1H-pyridin-2-one
CID 153392314
N-[4-(2,4-dichlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166464576
3-(5-chloro-2-fluorophenyl)-5-[[3-(morpholin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146299226
N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10198864
4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 56723622

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one (CID 146299202) is 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one is O=c1[nH]c(C2CC2)c(Nc2ncnc3[nH]ccc23)cc1-c1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one?
The InChIKey is JAGLCQAZAHYDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O/c21-11-3-4-15(22)13(7-11)14-8-16(17(10-1-2-10)27-20(14)28)26-19-12-5-6-23-18(12)24-9-25-19/h3-10H,1-2H2,(H,27,28)(H2,23,24,25,26).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one?
3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one has a molecular weight of 395.83 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one is sourced from PubChem (CID 146299202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).