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

C25H29N7O — CID 138961944

IUPAC5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccoc4)cccc3[nH]2)c1
InChIInChI=1S/C25H29N7O/c1-14(2)28-17-8-16(10-26-11-17)21-9-19-22(12-27-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)15-6-7-33-13-15/h3-8,10-11,13-14,19,21-22,24,27-28,31-32H,9,12H2,1-2H3,(H,29,30)
InChIKeyPYDAZCOVCRMXOX-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.91
Rot. Bonds5

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

5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (PubChem CID 138961944) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
PubChem CID138961944
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
SMILESCC(C)Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccoc4)cccc3[nH]2)c1
InChIInChI=1S/C25H29N7O/c1-14(2)28-17-8-16(10-26-11-17)21-9-19-22(12-27-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)15-6-7-33-13-15/h3-8,10-11,13-14,19,21-22,24,27-28,31-32H,9,12H2,1-2H3,(H,29,30)
InChIKeyPYDAZCOVCRMXOX-UHFFFAOYSA-N
XLogP3.91
TPSA102.83 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine (CID 138961944) is 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is CC(C)Nc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccoc4)cccc3[nH]2)c1.
What is the InChIKey of 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
The InChIKey is PYDAZCOVCRMXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-14(2)28-17-8-16(10-26-11-17)21-9-19-22(12-27-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)15-6-7-33-13-15/h3-8,10-11,13-14,19,21-22,24,27-28,31-32H,9,12H2,1-2H3,(H,29,30).
What are the key properties of 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine?
5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine has a molecular weight of 443.56 g/mol, XLogP of 3.91, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 138961944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).