4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C19H31N7 — CID 72892125

IUPAC4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCCCn1nc(CC2CCN(C)CC2)nc1C1NCCc2[nH]cnc21
InChIInChI=1S/C19H31N7/c1-3-4-9-26-19(18-17-15(5-8-20-18)21-13-22-17)23-16(24-26)12-14-6-10-25(2)11-7-14/h13-14,18,20H,3-12H2,1-2H3,(H,21,22)
InChIKeyNTIYBJQVEHMRCL-UHFFFAOYSA-N
MW357.51 g/mol
LogP1.92
Rot. Bonds6

About 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 72892125) has the molecular formula C19H31N7 and a molecular weight of 357.51 g/mol. Its IUPAC name is 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID72892125
Molecular FormulaC19H31N7
Molecular Weight357.51 g/mol
Exact Mass357.26
IUPAC Name4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCCCn1nc(CC2CCN(C)CC2)nc1C1NCCc2[nH]cnc21
InChIInChI=1S/C19H31N7/c1-3-4-9-26-19(18-17-15(5-8-20-18)21-13-22-17)23-16(24-26)12-14-6-10-25(2)11-7-14/h13-14,18,20H,3-12H2,1-2H3,(H,21,22)
InChIKeyNTIYBJQVEHMRCL-UHFFFAOYSA-N
XLogP1.92
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721798
5-acetyl-1'-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840210
(2S)-2-methyl-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 97276630
1-[2-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857743
4-[3-isobutyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine hydrochloride
CID 131930764
4-[5-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrochloride
CID 154912252
1'-(5-Isopropyl-1,3,4-thiadiazol-2-yl)-5-propyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72853970
1-methyl-4-[(4-methyl-5-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)methyl]piperazine
CID 72874253
2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 130250872
2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 130381274
6-tert-butyl-2-(7-tert-butyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 146338537
7-[1-(8-propan-2-yl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-5-yl)propan-2-yl]-2-[2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 155357058

Frequently Asked Questions

What is the IUPAC name of 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 72892125) is 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CCCCn1nc(CC2CCN(C)CC2)nc1C1NCCc2[nH]cnc21.
What is the InChIKey of 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is NTIYBJQVEHMRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7/c1-3-4-9-26-19(18-17-15(5-8-20-18)21-13-22-17)23-16(24-26)12-14-6-10-25(2)11-7-14/h13-14,18,20H,3-12H2,1-2H3,(H,21,22).
What are the key properties of 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 357.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-butyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 72892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).