5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H19N5 — CID 141354840

IUPAC5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(CN2CCc3nc(-c4n[nH]c5ccccc45)[nH]c3C2)cc1
InChIInChI=1S/C20H19N5/c1-2-6-14(7-3-1)12-25-11-10-17-18(13-25)22-20(21-17)19-15-8-4-5-9-16(15)23-24-19/h1-9H,10-13H2,(H,21,22)(H,23,24)
InChIKeyVABGYYIGZIXRKX-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.51
Rot. Bonds3

About 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 141354840) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID141354840
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESc1ccc(CN2CCc3nc(-c4n[nH]c5ccccc45)[nH]c3C2)cc1
InChIInChI=1S/C20H19N5/c1-2-6-14(7-3-1)12-25-11-10-17-18(13-25)22-20(21-17)19-15-8-4-5-9-16(15)23-24-19/h1-9H,10-13H2,(H,21,22)(H,23,24)
InChIKeyVABGYYIGZIXRKX-UHFFFAOYSA-N
XLogP3.51
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)methanamine
CID 82386780
4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91793424
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
4-[3-[5-(2-aminoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137226788
2-fluoro-4-[3-[5-(quinolin-8-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-(2,2,2-trifluoroethyl)phenol
CID 136983543
6-[(1-benzylpyrazol-4-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943723
2-[(3-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 766064
5-ethyl-2-fluoro-4-[3-[5-[2-(2,2,3,3-tetramethylazetidin-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 137243682
2-(quinolin-3-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 3867472
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
5-ethyl-2-fluoro-4-[3-[5-[2-(2,3,3,4-tetramethylpyrrolidin-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 137243681
6-[(1-benzylindol-3-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861521

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 141354840) is 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is c1ccc(CN2CCc3nc(-c4n[nH]c5ccccc45)[nH]c3C2)cc1.
What is the InChIKey of 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is VABGYYIGZIXRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-2-6-14(7-3-1)12-25-11-10-17-18(13-25)22-20(21-17)19-15-8-4-5-9-16(15)23-24-19/h1-9H,10-13H2,(H,21,22)(H,23,24).
What are the key properties of 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 329.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 141354840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).