6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile

C20H18F2N6O — CID 11574786

IUPAC6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(Nc2cc(C3CC3)[nH]n2)nc1N[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N6O/c21-14-5-3-12(4-6-14)17(10-29)24-19-13(9-23)7-15(22)20(26-19)25-18-8-16(27-28-18)11-1-2-11/h3-8,11,17,29H,1-2,10H2,(H3,24,25,26,27,28)/t17-/m0/s1
InChIKeyLHQVKNUTINLXOZ-KRWDZBQOSA-N
MW396.40 g/mol
LogP3.72
Rot. Bonds7

About 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile

6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile (PubChem CID 11574786) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile
PubChem CID11574786
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(Nc2cc(C3CC3)[nH]n2)nc1N[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N6O/c21-14-5-3-12(4-6-14)17(10-29)24-19-13(9-23)7-15(22)20(26-19)25-18-8-16(27-28-18)11-1-2-11/h3-8,11,17,29H,1-2,10H2,(H3,24,25,26,27,28)/t17-/m0/s1
InChIKeyLHQVKNUTINLXOZ-KRWDZBQOSA-N
XLogP3.72
TPSA109.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile 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 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile (CID 11574786) is 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile is N#Cc1cc(F)c(Nc2cc(C3CC3)[nH]n2)nc1N[C@@H](CO)c1ccc(F)cc1.
What is the InChIKey of 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile?
The InChIKey is LHQVKNUTINLXOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-14-5-3-12(4-6-14)17(10-29)24-19-13(9-23)7-15(22)20(26-19)25-18-8-16(27-28-18)11-1-2-11/h3-8,11,17,29H,1-2,10H2,(H3,24,25,26,27,28)/t17-/m0/s1.
What are the key properties of 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile?
6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile has a molecular weight of 396.40 g/mol, XLogP of 3.72, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 11574786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).