N-[[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]-3-pyridinyl]methyl]ethanamine

C25H29N7O — CID 138961941

IUPACN-[[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]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccoc4)cccc3[nH]2)c1
InChIInChI=1S/C25H29N7O/c1-2-26-10-15-8-17(12-27-11-15)21-9-19-22(13-28-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)16-6-7-33-14-16/h3-8,11-12,14,19,21-22,24,26,28,31-32H,2,9-10,13H2,1H3,(H,29,30)
InChIKeyFQXZZNUKHMAUFO-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.20
Rot. Bonds6

About N-[[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]-3-pyridinyl]methyl]ethanamine

N-[[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]-3-pyridinyl]methyl]ethanamine (PubChem CID 138961941) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is N-[[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]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[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]-3-pyridinyl]methyl]ethanamine
PubChem CID138961941
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC NameN-[[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]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccoc4)cccc3[nH]2)c1
InChIInChI=1S/C25H29N7O/c1-2-26-10-15-8-17(12-27-11-15)21-9-19-22(13-28-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)16-6-7-33-14-16/h3-8,11-12,14,19,21-22,24,26,28,31-32H,2,9-10,13H2,1H3,(H,29,30)
InChIKeyFQXZZNUKHMAUFO-UHFFFAOYSA-N
XLogP3.20
TPSA102.83 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[[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]-3-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[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]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[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]-3-pyridinyl]methyl]ethanamine (CID 138961941) is N-[[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]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[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]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[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]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(C2CC3C(CN2)NNC3c2nc3c(-c4ccoc4)cccc3[nH]2)c1.
What is the InChIKey of N-[[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]-3-pyridinyl]methyl]ethanamine?
The InChIKey is FQXZZNUKHMAUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-2-26-10-15-8-17(12-27-11-15)21-9-19-22(13-28-21)31-32-24(19)25-29-20-5-3-4-18(23(20)30-25)16-6-7-33-14-16/h3-8,11-12,14,19,21-22,24,26,28,31-32H,2,9-10,13H2,1H3,(H,29,30).
What are the key properties of N-[[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]-3-pyridinyl]methyl]ethanamine?
N-[[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]-3-pyridinyl]methyl]ethanamine has a molecular weight of 443.56 g/mol, XLogP of 3.20, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[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]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 138961941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).