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

C19H18Cl2FN5 — CID 69285790

IUPAC3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine
SMILESC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H18Cl2FN5/c1-10(11-4-6-13(22)7-5-11)23-18-14(20)8-15(21)19(25-18)24-17-9-16(26-27-17)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/m0/s1
InChIKeyIKAKCCCBVXFBIA-JTQLQIEISA-N
MW406.29 g/mol
LogP6.04
Rot. Bonds6

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

3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine (PubChem CID 69285790) has the molecular formula C19H18Cl2FN5 and a molecular weight of 406.29 g/mol. Its IUPAC name is 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine
PubChem CID69285790
Molecular FormulaC19H18Cl2FN5
Molecular Weight406.29 g/mol
Exact Mass405.09
IUPAC Name3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine
SMILESC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H18Cl2FN5/c1-10(11-4-6-13(22)7-5-11)23-18-14(20)8-15(21)19(25-18)24-17-9-16(26-27-17)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/m0/s1
InChIKeyIKAKCCCBVXFBIA-JTQLQIEISA-N
XLogP6.04
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.29
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine (CID 69285790) is 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine is C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine?
The InChIKey is IKAKCCCBVXFBIA-JTQLQIEISA-N. The full InChI is InChI=1S/C19H18Cl2FN5/c1-10(11-4-6-13(22)7-5-11)23-18-14(20)8-15(21)19(25-18)24-17-9-16(26-27-17)12-2-3-12/h4-10,12H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/m0/s1.
What are the key properties of 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine has a molecular weight of 406.29 g/mol, XLogP of 6.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 69285790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).