4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine

C25H23N7 — CID 151263212

IUPAC4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine
SMILESCC1C=C(n2cnc(C3CC3)c2)C=CN1c1cccc(-c2nncn2-c2cccnc2)c1
InChIInChI=1S/C25H23N7/c1-18-12-21(30-15-24(27-16-30)19-7-8-19)9-11-31(18)22-5-2-4-20(13-22)25-29-28-17-32(25)23-6-3-10-26-14-23/h2-6,9-19H,7-8H2,1H3
InChIKeyNUUBOKAHDNRYON-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.67
Rot. Bonds5

About 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine

4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine (PubChem CID 151263212) has the molecular formula C25H23N7 and a molecular weight of 421.51 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine
PubChem CID151263212
Molecular FormulaC25H23N7
Molecular Weight421.51 g/mol
Exact Mass421.20
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine
SMILESCC1C=C(n2cnc(C3CC3)c2)C=CN1c1cccc(-c2nncn2-c2cccnc2)c1
InChIInChI=1S/C25H23N7/c1-18-12-21(30-15-24(27-16-30)19-7-8-19)9-11-31(18)22-5-2-4-20(13-22)25-29-28-17-32(25)23-6-3-10-26-14-23/h2-6,9-19H,7-8H2,1H3
InChIKeyNUUBOKAHDNRYON-UHFFFAOYSA-N
XLogP4.67
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine (CID 151263212) is 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine is CC1C=C(n2cnc(C3CC3)c2)C=CN1c1cccc(-c2nncn2-c2cccnc2)c1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine?
The InChIKey is NUUBOKAHDNRYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7/c1-18-12-21(30-15-24(27-16-30)19-7-8-19)9-11-31(18)22-5-2-4-20(13-22)25-29-28-17-32(25)23-6-3-10-26-14-23/h2-6,9-19H,7-8H2,1H3.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine?
4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine has a molecular weight of 421.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-2-methyl-1-[3-(4-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]-2H-pyridine is sourced from PubChem (CID 151263212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).