(4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H26N6 — CID 95549265

IUPAC(4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(C)c(Cn2cncn2)cc1CN1CCc2[nH]cnc2[C@H]1C1CC1
InChIInChI=1S/C21H26N6/c1-14-7-15(2)18(10-27-13-22-11-25-27)8-17(14)9-26-6-5-19-20(24-12-23-19)21(26)16-3-4-16/h7-8,11-13,16,21H,3-6,9-10H2,1-2H3,(H,23,24)/t21-/m1/s1
InChIKeyZZHCQQPSFVIZMN-OAQYLSRUSA-N
MW362.48 g/mol
LogP3.18
Rot. Bonds5

About (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95549265) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95549265
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name(4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(C)c(Cn2cncn2)cc1CN1CCc2[nH]cnc2[C@H]1C1CC1
InChIInChI=1S/C21H26N6/c1-14-7-15(2)18(10-27-13-22-11-25-27)8-17(14)9-26-6-5-19-20(24-12-23-19)21(26)16-3-4-16/h7-8,11-13,16,21H,3-6,9-10H2,1-2H3,(H,23,24)/t21-/m1/s1
InChIKeyZZHCQQPSFVIZMN-OAQYLSRUSA-N
XLogP3.18
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95549265) is (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1cc(C)c(Cn2cncn2)cc1CN1CCc2[nH]cnc2[C@H]1C1CC1.
What is the InChIKey of (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is ZZHCQQPSFVIZMN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N6/c1-14-7-15(2)18(10-27-13-22-11-25-27)8-17(14)9-26-6-5-19-20(24-12-23-19)21(26)16-3-4-16/h7-8,11-13,16,21H,3-6,9-10H2,1-2H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 362.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-5-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95549265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).