[4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol

C27H23FN6O — CID 126559069

IUPAC[4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)cc5)cccc4[nH]2)=NCCC3)c(CO)n1
InChIInChI=1S/C27H23FN6O/c1-34-14-20(23(15-35)33-34)21-12-9-17-4-3-13-29-26(24(17)30-21)27-31-22-6-2-5-19(25(22)32-27)16-7-10-18(28)11-8-16/h2,5-12,14,35H,3-4,13,15H2,1H3,(H,31,32)
InChIKeyIHPIKADHIRFDMB-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.44
Rot. Bonds4

About [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol

[4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol (PubChem CID 126559069) has the molecular formula C27H23FN6O and a molecular weight of 466.52 g/mol. Its IUPAC name is [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol
PubChem CID126559069
Molecular FormulaC27H23FN6O
Molecular Weight466.52 g/mol
Exact Mass466.19
IUPAC Name[4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol
SMILESCn1cc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)cc5)cccc4[nH]2)=NCCC3)c(CO)n1
InChIInChI=1S/C27H23FN6O/c1-34-14-20(23(15-35)33-34)21-12-9-17-4-3-13-29-26(24(17)30-21)27-31-22-6-2-5-19(25(22)32-27)16-7-10-18(28)11-8-16/h2,5-12,14,35H,3-4,13,15H2,1H3,(H,31,32)
InChIKeyIHPIKADHIRFDMB-UHFFFAOYSA-N
XLogP4.44
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol (CID 126559069) is [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol is Cn1cc(-c2ccc3c(n2)C(c2nc4c(-c5ccc(F)cc5)cccc4[nH]2)=NCCC3)c(CO)n1.
What is the InChIKey of [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol?
The InChIKey is IHPIKADHIRFDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O/c1-34-14-20(23(15-35)33-34)21-12-9-17-4-3-13-29-26(24(17)30-21)27-31-22-6-2-5-19(25(22)32-27)16-7-10-18(28)11-8-16/h2,5-12,14,35H,3-4,13,15H2,1H3,(H,31,32).
What are the key properties of [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol?
[4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol has a molecular weight of 466.52 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-6,7-dihydro-5H-pyrido[2,3-c]azepin-2-yl]-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 126559069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).