1-cyclopentyl-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]methanamine

C29H35N7O — CID 138961947

IUPAC1-cyclopentyl-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]methanamine
SMILESc1cc(-c2ccoc2)c2nc(C3NNC4CNC(c5cncc(CNCC6CCCC6)c5)CC43)[nH]c2c1
InChIInChI=1S/C29H35N7O/c1-2-5-18(4-1)12-30-13-19-10-21(15-31-14-19)25-11-23-26(16-32-25)35-36-28(23)29-33-24-7-3-6-22(27(24)34-29)20-8-9-37-17-20/h3,6-10,14-15,17-18,23,25-26,28,30,32,35-36H,1-2,4-5,11-13,16H2,(H,33,34)
InChIKeyWPBNBZASFLTABL-UHFFFAOYSA-N
MW497.65 g/mol
LogP4.37
Rot. Bonds7

About 1-cyclopentyl-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]methanamine

1-cyclopentyl-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]methanamine (PubChem CID 138961947) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is 1-cyclopentyl-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]methanamine.

Molecular Properties

Compound Name1-cyclopentyl-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]methanamine
PubChem CID138961947
Molecular FormulaC29H35N7O
Molecular Weight497.65 g/mol
Exact Mass497.29
IUPAC Name1-cyclopentyl-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]methanamine
SMILESc1cc(-c2ccoc2)c2nc(C3NNC4CNC(c5cncc(CNCC6CCCC6)c5)CC43)[nH]c2c1
InChIInChI=1S/C29H35N7O/c1-2-5-18(4-1)12-30-13-19-10-21(15-31-14-19)25-11-23-26(16-32-25)35-36-28(23)29-33-24-7-3-6-22(27(24)34-29)20-8-9-37-17-20/h3,6-10,14-15,17-18,23,25-26,28,30,32,35-36H,1-2,4-5,11-13,16H2,(H,33,34)
InChIKeyWPBNBZASFLTABL-UHFFFAOYSA-N
XLogP4.37
TPSA102.83 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 54.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 1-cyclopentyl-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]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-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]methanamine?
The IUPAC name of 1-cyclopentyl-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]methanamine (CID 138961947) is 1-cyclopentyl-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]methanamine.
What is the SMILES notation for 1-cyclopentyl-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]methanamine?
The canonical SMILES for 1-cyclopentyl-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]methanamine is c1cc(-c2ccoc2)c2nc(C3NNC4CNC(c5cncc(CNCC6CCCC6)c5)CC43)[nH]c2c1.
What is the InChIKey of 1-cyclopentyl-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]methanamine?
The InChIKey is WPBNBZASFLTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O/c1-2-5-18(4-1)12-30-13-19-10-21(15-31-14-19)25-11-23-26(16-32-25)35-36-28(23)29-33-24-7-3-6-22(27(24)34-29)20-8-9-37-17-20/h3,6-10,14-15,17-18,23,25-26,28,30,32,35-36H,1-2,4-5,11-13,16H2,(H,33,34).
What are the key properties of 1-cyclopentyl-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]methanamine?
1-cyclopentyl-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]methanamine has a molecular weight of 497.65 g/mol, XLogP of 4.37, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-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]methanamine is sourced from PubChem (CID 138961947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).