4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide

C21H19FN4O2 — CID 118736125

IUPAC4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
SMILESCc1ccc(O)c2c3c(nn12)CCC(C)(NC(=O)c1ccc(C#N)cc1F)C3
InChIInChI=1S/C21H19FN4O2/c1-12-3-6-18(27)19-15-10-21(2,8-7-17(15)25-26(12)19)24-20(28)14-5-4-13(11-23)9-16(14)22/h3-6,9,27H,7-8,10H2,1-2H3,(H,24,28)
InChIKeyQAFVFZMXEDBWKJ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.04
Rot. Bonds2

About 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide

4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide (PubChem CID 118736125) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
PubChem CID118736125
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
SMILESCc1ccc(O)c2c3c(nn12)CCC(C)(NC(=O)c1ccc(C#N)cc1F)C3
InChIInChI=1S/C21H19FN4O2/c1-12-3-6-18(27)19-15-10-21(2,8-7-17(15)25-26(12)19)24-20(28)14-5-4-13(11-23)9-16(14)22/h3-6,9,27H,7-8,10H2,1-2H3,(H,24,28)
InChIKeyQAFVFZMXEDBWKJ-UHFFFAOYSA-N
XLogP3.04
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide with MolForge

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Related Compounds

N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(triazol-1-yl)benzamide
CID 118736124
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736128
4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736126
4-cyano-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736127
5-[4-(5-Hydroxy-6-methyl-2-pyridinyl)benzoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 162633120

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide (CID 118736125) is 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide is Cc1ccc(O)c2c3c(nn12)CCC(C)(NC(=O)c1ccc(C#N)cc1F)C3.
What is the InChIKey of 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The InChIKey is QAFVFZMXEDBWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-3-6-18(27)19-15-10-21(2,8-7-17(15)25-26(12)19)24-20(28)14-5-4-13(11-23)9-16(14)22/h3-6,9,27H,7-8,10H2,1-2H3,(H,24,28).
What are the key properties of 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide has a molecular weight of 378.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide is sourced from PubChem (CID 118736125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).