4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine

C19H21FN6 — CID 67455344

IUPAC4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
SMILESC[C@@H](Nc1nc(N)cc(-c2cc(C3CC3)[nH]n2)c1N)c1ccc(F)cc1
InChIInChI=1S/C19H21FN6/c1-10(11-4-6-13(20)7-5-11)23-19-18(22)14(8-17(21)24-19)16-9-15(25-26-16)12-2-3-12/h4-10,12H,2-3,22H2,1H3,(H,25,26)(H3,21,23,24)/t10-/m1/s1
InChIKeyXEFLSCXPIDJBOU-SNVBAGLBSA-N
MW352.42 g/mol
LogP3.83
Rot. Bonds5

About 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine

4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine (PubChem CID 67455344) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
PubChem CID67455344
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
SMILESC[C@@H](Nc1nc(N)cc(-c2cc(C3CC3)[nH]n2)c1N)c1ccc(F)cc1
InChIInChI=1S/C19H21FN6/c1-10(11-4-6-13(20)7-5-11)23-19-18(22)14(8-17(21)24-19)16-9-15(25-26-16)12-2-3-12/h4-10,12H,2-3,22H2,1H3,(H,25,26)(H3,21,23,24)/t10-/m1/s1
InChIKeyXEFLSCXPIDJBOU-SNVBAGLBSA-N
XLogP3.83
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine 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 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine (CID 67455344) is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine is C[C@@H](Nc1nc(N)cc(-c2cc(C3CC3)[nH]n2)c1N)c1ccc(F)cc1.
What is the InChIKey of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is XEFLSCXPIDJBOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H21FN6/c1-10(11-4-6-13(20)7-5-11)23-19-18(22)14(8-17(21)24-19)16-9-15(25-26-16)12-2-3-12/h4-10,12H,2-3,22H2,1H3,(H,25,26)(H3,21,23,24)/t10-/m1/s1.
What are the key properties of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 352.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 67455344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).