5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one

C19H14ClFN4O — CID 129052067

IUPAC5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccc(F)c(Cl)c4)c3)ccc12
InChIInChI=1S/C19H14ClFN4O/c20-15-7-11(1-5-16(15)21)9-25-10-13(3-6-18(25)26)12-2-4-14-17(8-12)23-24-19(14)22/h1-8,10H,9H2,(H3,22,23,24)
InChIKeyZGSFOJLTVQQJQR-UHFFFAOYSA-N
MW368.80 g/mol
LogP3.81
Rot. Bonds3

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

5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one (PubChem CID 129052067) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
PubChem CID129052067
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
SMILESNc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccc(F)c(Cl)c4)c3)ccc12
InChIInChI=1S/C19H14ClFN4O/c20-15-7-11(1-5-16(15)21)9-25-10-13(3-6-18(25)26)12-2-4-14-17(8-12)23-24-19(14)22/h1-8,10H,9H2,(H3,22,23,24)
InChIKeyZGSFOJLTVQQJQR-UHFFFAOYSA-N
XLogP3.81
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one (CID 129052067) is 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one is Nc1n[nH]c2cc(-c3ccc(=O)n(Cc4ccc(F)c(Cl)c4)c3)ccc12.
What is the InChIKey of 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is ZGSFOJLTVQQJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c20-15-7-11(1-5-16(15)21)9-25-10-13(3-6-18(25)26)12-2-4-14-17(8-12)23-24-19(14)22/h1-8,10H,9H2,(H3,22,23,24).
What are the key properties of 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 368.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-indazol-6-yl)-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 129052067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).