5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

C24H24FN7 — CID 138961900

IUPAC5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
SMILESNc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccccc4F)cccc3[nH]2)c1
InChIInChI=1S/C24H24FN7/c25-18-6-2-1-4-15(18)16-5-3-7-19-22(16)30-24(29-19)23-17-9-20(28-12-21(17)31-32-23)13-8-14(26)11-27-10-13/h1-8,10-11,17,20-21,23,28,31-32H,9,12,26H2,(H,29,30)
InChIKeyPDYWLUZQYDCJOM-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.21
Rot. Bonds3

About 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (PubChem CID 138961900) has the molecular formula C24H24FN7 and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
PubChem CID138961900
Molecular FormulaC24H24FN7
Molecular Weight429.50 g/mol
Exact Mass429.21
IUPAC Name5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
SMILESNc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccccc4F)cccc3[nH]2)c1
InChIInChI=1S/C24H24FN7/c25-18-6-2-1-4-15(18)16-5-3-7-19-22(16)30-24(29-19)23-17-9-20(28-12-21(17)31-32-23)13-8-14(26)11-27-10-13/h1-8,10-11,17,20-21,23,28,31-32H,9,12,26H2,(H,29,30)
InChIKeyPDYWLUZQYDCJOM-UHFFFAOYSA-N
XLogP3.21
TPSA103.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (CID 138961900) is 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccccc4F)cccc3[nH]2)c1.
What is the InChIKey of 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The InChIKey is PDYWLUZQYDCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7/c25-18-6-2-1-4-15(18)16-5-3-7-19-22(16)30-24(29-19)23-17-9-20(28-12-21(17)31-32-23)13-8-14(26)11-27-10-13/h1-8,10-11,17,20-21,23,28,31-32H,9,12,26H2,(H,29,30).
What are the key properties of 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine has a molecular weight of 429.50 g/mol, XLogP of 3.21, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 138961900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).