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

C18H19FN6 — CID 67456079

IUPAC4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine
SMILESNc1nc(NCc2ccc(F)cc2)cc(-c2cc(C3CC3)[nH]n2)c1N
InChIInChI=1S/C18H19FN6/c19-12-5-1-10(2-6-12)9-22-16-7-13(17(20)18(21)23-16)15-8-14(24-25-15)11-3-4-11/h1-2,5-8,11H,3-4,9,20H2,(H,24,25)(H3,21,22,23)
InChIKeyXWRLOXNTCYILHF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.26
Rot. Bonds5

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

4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine (PubChem CID 67456079) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine
PubChem CID67456079
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine
SMILESNc1nc(NCc2ccc(F)cc2)cc(-c2cc(C3CC3)[nH]n2)c1N
InChIInChI=1S/C18H19FN6/c19-12-5-1-10(2-6-12)9-22-16-7-13(17(20)18(21)23-16)15-8-14(24-25-15)11-3-4-11/h1-2,5-8,11H,3-4,9,20H2,(H,24,25)(H3,21,22,23)
InChIKeyXWRLOXNTCYILHF-UHFFFAOYSA-N
XLogP3.26
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine (CID 67456079) is 4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine is Nc1nc(NCc2ccc(F)cc2)cc(-c2cc(C3CC3)[nH]n2)c1N.
What is the InChIKey of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine?
The InChIKey is XWRLOXNTCYILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c19-12-5-1-10(2-6-12)9-22-16-7-13(17(20)18(21)23-16)15-8-14(24-25-15)11-3-4-11/h1-2,5-8,11H,3-4,9,20H2,(H,24,25)(H3,21,22,23).
What are the key properties of 4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine?
4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine has a molecular weight of 338.39 g/mol, XLogP of 3.26, 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)-6-N-[(4-fluorophenyl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 67456079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).