6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine

C24H22FN5 — CID 141287066

IUPAC6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine
SMILESFc1c(-c2nncn2C2CC2)cccc1N1CC(c2ccncc2)=CC=C1C1CC1
InChIInChI=1S/C24H22FN5/c25-23-20(24-28-27-15-30(24)19-7-8-19)2-1-3-22(23)29-14-18(16-10-12-26-13-11-16)6-9-21(29)17-4-5-17/h1-3,6,9-13,15,17,19H,4-5,7-8,14H2
InChIKeyRSQGPBFBNZXAAE-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.01
Rot. Bonds5

About 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine

6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine (PubChem CID 141287066) has the molecular formula C24H22FN5 and a molecular weight of 399.47 g/mol. Its IUPAC name is 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine.

Molecular Properties

Compound Name6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine
PubChem CID141287066
Molecular FormulaC24H22FN5
Molecular Weight399.47 g/mol
Exact Mass399.19
IUPAC Name6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine
SMILESFc1c(-c2nncn2C2CC2)cccc1N1CC(c2ccncc2)=CC=C1C1CC1
InChIInChI=1S/C24H22FN5/c25-23-20(24-28-27-15-30(24)19-7-8-19)2-1-3-22(23)29-14-18(16-10-12-26-13-11-16)6-9-21(29)17-4-5-17/h1-3,6,9-13,15,17,19H,4-5,7-8,14H2
InChIKeyRSQGPBFBNZXAAE-UHFFFAOYSA-N
XLogP5.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine?
The IUPAC name of 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine (CID 141287066) is 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine.
What is the SMILES notation for 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine?
The canonical SMILES for 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine is Fc1c(-c2nncn2C2CC2)cccc1N1CC(c2ccncc2)=CC=C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine?
The InChIKey is RSQGPBFBNZXAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5/c25-23-20(24-28-27-15-30(24)19-7-8-19)2-1-3-22(23)29-14-18(16-10-12-26-13-11-16)6-9-21(29)17-4-5-17/h1-3,6,9-13,15,17,19H,4-5,7-8,14H2.
What are the key properties of 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine?
6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine has a molecular weight of 399.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine is sourced from PubChem (CID 141287066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).