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

C20H20FN3O2 — CID 118736126

IUPAC4-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(F)cc1)C3
InChIInChI=1S/C20H20FN3O2/c1-12-3-8-17(25)18-15-11-20(2,10-9-16(15)23-24(12)18)22-19(26)13-4-6-14(21)7-5-13/h3-8,25H,9-11H2,1-2H3,(H,22,26)
InChIKeyVBOXKKSQEAQSEF-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.16
Rot. Bonds2

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

4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide (PubChem CID 118736126) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
PubChem CID118736126
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-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(F)cc1)C3
InChIInChI=1S/C20H20FN3O2/c1-12-3-8-17(25)18-15-11-20(2,10-9-16(15)23-24(12)18)22-19(26)13-4-6-14(21)7-5-13/h3-8,25H,9-11H2,1-2H3,(H,22,26)
InChIKeyVBOXKKSQEAQSEF-UHFFFAOYSA-N
XLogP3.16
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-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
4-cyano-2-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736125
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736128
4-cyano-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide
CID 118736127
3-(2,6-difluorophenyl)-N-[1-(4-hydroxyphenyl)cyclobutyl]-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 166973060

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide (CID 118736126) is 4-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-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The canonical SMILES for 4-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(F)cc1)C3.
What is the InChIKey of 4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
The InChIKey is VBOXKKSQEAQSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-3-8-17(25)18-15-11-20(2,10-9-16(15)23-24(12)18)22-19(26)13-4-6-14(21)7-5-13/h3-8,25H,9-11H2,1-2H3,(H,22,26).
What are the key properties of 4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide?
4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide has a molecular weight of 353.40 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)benzamide is sourced from PubChem (CID 118736126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).