4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine

C21H19FN6 — CID 46993645

IUPAC4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine
SMILESCC(Cc1cccnc1)Nc1nccc(-c2cnn(-c3ccccc3F)c2)n1
InChIInChI=1S/C21H19FN6/c1-15(11-16-5-4-9-23-12-16)26-21-24-10-8-19(27-21)17-13-25-28(14-17)20-7-3-2-6-18(20)22/h2-10,12-15H,11H2,1H3,(H,24,26,27)
InChIKeyQYFDKJAMRNWGTB-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.91
Rot. Bonds6

About 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine

4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine (PubChem CID 46993645) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine
PubChem CID46993645
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine
SMILESCC(Cc1cccnc1)Nc1nccc(-c2cnn(-c3ccccc3F)c2)n1
InChIInChI=1S/C21H19FN6/c1-15(11-16-5-4-9-23-12-16)26-21-24-10-8-19(27-21)17-13-25-28(14-17)20-7-3-2-6-18(20)22/h2-10,12-15H,11H2,1H3,(H,24,26,27)
InChIKeyQYFDKJAMRNWGTB-UHFFFAOYSA-N
XLogP3.91
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
SB-220025
CID 5164
Vactosertib
CID 54766013
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
compound 18e (PMID: 31670517)
CID 139600335
Decoglurant
CID 71533696
VK-19911
CID 9797240
SB-242235
CID 9863367
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine (CID 46993645) is 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine is CC(Cc1cccnc1)Nc1nccc(-c2cnn(-c3ccccc3F)c2)n1.
What is the InChIKey of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is QYFDKJAMRNWGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c1-15(11-16-5-4-9-23-12-16)26-21-24-10-8-19(27-21)17-13-25-28(14-17)20-7-3-2-6-18(20)22/h2-10,12-15H,11H2,1H3,(H,24,26,27).
What are the key properties of 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine?
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 374.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1-pyridin-3-ylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 46993645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).