N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine

C30H26F4N8 — CID 177367967

IUPACN-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(-c3ncc(CNC4CC4)cc3C(F)(F)F)cn2)c1
InChIInChI=1S/C30H26F4N8/c1-41-16-37-40-29(41)24-11-21(31)4-7-23(24)19-9-26(18-2-3-18)39-27(10-19)42-15-20(14-38-42)28-25(30(32,33)34)8-17(13-36-28)12-35-22-5-6-22/h4,7-11,13-16,18,22,35H,2-3,5-6,12H2,1H3
InChIKeyKMMUCZFQCJNNOG-UHFFFAOYSA-N
MW574.59 g/mol
LogP6.08
Rot. Bonds8

About N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 177367967) has the molecular formula C30H26F4N8 and a molecular weight of 574.59 g/mol. Its IUPAC name is N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID177367967
Molecular FormulaC30H26F4N8
Molecular Weight574.59 g/mol
Exact Mass574.22
IUPAC NameN-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(-c3ncc(CNC4CC4)cc3C(F)(F)F)cn2)c1
InChIInChI=1S/C30H26F4N8/c1-41-16-37-40-29(41)24-11-21(31)4-7-23(24)19-9-26(18-2-3-18)39-27(10-19)42-15-20(14-38-42)28-25(30(32,33)34)8-17(13-36-28)12-35-22-5-6-22/h4,7-11,13-16,18,22,35H,2-3,5-6,12H2,1H3
InChIKeyKMMUCZFQCJNNOG-UHFFFAOYSA-N
XLogP6.08
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.59
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine (CID 177367967) is N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine is Cn1cnnc1-c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(-c3ncc(CNC4CC4)cc3C(F)(F)F)cn2)c1.
What is the InChIKey of N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KMMUCZFQCJNNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4N8/c1-41-16-37-40-29(41)24-11-21(31)4-7-23(24)19-9-26(18-2-3-18)39-27(10-19)42-15-20(14-38-42)28-25(30(32,33)34)8-17(13-36-28)12-35-22-5-6-22/h4,7-11,13-16,18,22,35H,2-3,5-6,12H2,1H3.
What are the key properties of N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 574.59 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 177367967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).