3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one

C23H19ClFN5OS — CID 146296469

IUPAC3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one
SMILESCc1cnc(Nc2cc(Nc3cc(-c4cc(Cl)ccc4F)c(=O)[nH]c3C3CC3)ccn2)s1
InChIInChI=1S/C23H19ClFN5OS/c1-12-11-27-23(32-12)29-20-9-15(6-7-26-20)28-19-10-17(16-8-14(24)4-5-18(16)25)22(31)30-21(19)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,30,31)(H2,26,27,28,29)
InChIKeyUQIGJEAQXJVGOR-UHFFFAOYSA-N
MW467.96 g/mol
LogP6.36
Rot. Bonds6

About 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one

3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one (PubChem CID 146296469) has the molecular formula C23H19ClFN5OS and a molecular weight of 467.96 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one
PubChem CID146296469
Molecular FormulaC23H19ClFN5OS
Molecular Weight467.96 g/mol
Exact Mass467.10
IUPAC Name3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one
SMILESCc1cnc(Nc2cc(Nc3cc(-c4cc(Cl)ccc4F)c(=O)[nH]c3C3CC3)ccn2)s1
InChIInChI=1S/C23H19ClFN5OS/c1-12-11-27-23(32-12)29-20-9-15(6-7-26-20)28-19-10-17(16-8-14(24)4-5-18(16)25)22(31)30-21(19)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,30,31)(H2,26,27,28,29)
InChIKeyUQIGJEAQXJVGOR-UHFFFAOYSA-N
XLogP6.36
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one?
The IUPAC name of 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) is 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one is Cc1cnc(Nc2cc(Nc3cc(-c4cc(Cl)ccc4F)c(=O)[nH]c3C3CC3)ccn2)s1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one?
The InChIKey is UQIGJEAQXJVGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5OS/c1-12-11-27-23(32-12)29-20-9-15(6-7-26-20)28-19-10-17(16-8-14(24)4-5-18(16)25)22(31)30-21(19)13-2-3-13/h4-11,13H,2-3H2,1H3,(H,30,31)(H2,26,27,28,29).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one?
3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one has a molecular weight of 467.96 g/mol, XLogP of 6.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-[[2-[(5-methyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 146296469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).