3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C19H24N6 — CID 110459126

IUPAC3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1ccc2c(c1)ncn2Cc1nn(C2CCNCC2)c2c1CNCC2
InChIInChI=1S/C19H24N6/c1-2-4-19-16(3-1)22-13-24(19)12-17-15-11-21-10-7-18(15)25(23-17)14-5-8-20-9-6-14/h1-4,13-14,20-21H,5-12H2
InChIKeyTZPSDVMZCREBJO-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.85
Rot. Bonds3

About 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110459126) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110459126
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESc1ccc2c(c1)ncn2Cc1nn(C2CCNCC2)c2c1CNCC2
InChIInChI=1S/C19H24N6/c1-2-4-19-16(3-1)22-13-24(19)12-17-15-11-21-10-7-18(15)25(23-17)14-5-8-20-9-6-14/h1-4,13-14,20-21H,5-12H2
InChIKeyTZPSDVMZCREBJO-UHFFFAOYSA-N
XLogP1.85
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

1-[(1-cyclopropyltetrazol-5-yl)methyl]benzimidazole
CID 36543584
[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanamine
CID 105498001
3-cyclohexyl-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587575
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
7-[2-(benzimidazol-1-yl)ethyl]-2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-1,4-dione
CID 18348638
N-[3-(benzimidazol-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119834571
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119868689
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-(cyclopenta-2,4-dien-1-ylmethyl)benzimidazole
CID 15397533
1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 57210584
1-cycloheptyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105495321
1-(cyclopropylmethoxymethyl)benzimidazole
CID 90028770

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110459126) is 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is c1ccc2c(c1)ncn2Cc1nn(C2CCNCC2)c2c1CNCC2.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is TZPSDVMZCREBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-4-19-16(3-1)22-13-24(19)12-17-15-11-21-10-7-18(15)25(23-17)14-5-8-20-9-6-14/h1-4,13-14,20-21H,5-12H2.
What are the key properties of 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 336.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110459126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).