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

C19H21FN6 — CID 67478872

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine
SMILESC[C@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)c(N)cn1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN6/c1-11(12-4-6-14(20)7-5-12)23-18-9-17(15(21)10-22-18)24-19-8-16(25-26-19)13-2-3-13/h4-11,13H,2-3,21H2,1H3,(H3,22,23,24,25,26)/t11-/m0/s1
InChIKeyAMTRLNGJGUJGHH-NSHDSACASA-N
MW352.42 g/mol
LogP4.32
Rot. Bonds6

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine (PubChem CID 67478872) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine
PubChem CID67478872
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine
SMILESC[C@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)c(N)cn1)c1ccc(F)cc1
InChIInChI=1S/C19H21FN6/c1-11(12-4-6-14(20)7-5-12)23-18-9-17(15(21)10-22-18)24-19-8-16(25-26-19)13-2-3-13/h4-11,13H,2-3,21H2,1H3,(H3,22,23,24,25,26)/t11-/m0/s1
InChIKeyAMTRLNGJGUJGHH-NSHDSACASA-N
XLogP4.32
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine (CID 67478872) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine is C[C@H](Nc1cc(Nc2cc(C3CC3)[nH]n2)c(N)cn1)c1ccc(F)cc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine?
The InChIKey is AMTRLNGJGUJGHH-NSHDSACASA-N. The full InChI is InChI=1S/C19H21FN6/c1-11(12-4-6-14(20)7-5-12)23-18-9-17(15(21)10-22-18)24-19-8-16(25-26-19)13-2-3-13/h4-11,13H,2-3,21H2,1H3,(H3,22,23,24,25,26)/t11-/m0/s1.
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine has a molecular weight of 352.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,4,5-triamine is sourced from PubChem (CID 67478872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).