2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide

C18H18F2N6O2 — CID 148590503

IUPAC2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)F)cc1-c1cnc(N)c(-c2ccnn2C)n1
InChIInChI=1S/C18H18F2N6O2/c1-9-3-4-10(18(28,16(19)20)17(22)27)7-11(9)12-8-23-15(21)14(25-12)13-5-6-24-26(13)2/h3-8,16,28H,1-2H3,(H2,21,23)(H2,22,27)
InChIKeyNANPNVKIAMKUAZ-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.37
Rot. Bonds5

About 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide

2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide (PubChem CID 148590503) has the molecular formula C18H18F2N6O2 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide
PubChem CID148590503
Molecular FormulaC18H18F2N6O2
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC Name2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)F)cc1-c1cnc(N)c(-c2ccnn2C)n1
InChIInChI=1S/C18H18F2N6O2/c1-9-3-4-10(18(28,16(19)20)17(22)27)7-11(9)12-8-23-15(21)14(25-12)13-5-6-24-26(13)2/h3-8,16,28H,1-2H3,(H2,21,23)(H2,22,27)
InChIKeyNANPNVKIAMKUAZ-UHFFFAOYSA-N
XLogP1.37
TPSA132.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392390
N-(6-(2-hydroxypropan-2-yl)-2-phenylpyridin-3-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393469
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 51
CID 138576392
US10738057, Example 255
CID 138619343
US11046658, Example 107
CID 147233579
US11046658, Example 110
CID 148017736
US11046658, Example 7
CID 149380624
US11046658, Example 69
CID 149547652
US11046658, Example 64
CID 149648297

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide (CID 148590503) is 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(N)=O)C(F)F)cc1-c1cnc(N)c(-c2ccnn2C)n1.
What is the InChIKey of 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide?
The InChIKey is NANPNVKIAMKUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O2/c1-9-3-4-10(18(28,16(19)20)17(22)27)7-11(9)12-8-23-15(21)14(25-12)13-5-6-24-26(13)2/h3-8,16,28H,1-2H3,(H2,21,23)(H2,22,27).
What are the key properties of 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide has a molecular weight of 388.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3-difluoro-2-hydroxypropanamide is sourced from PubChem (CID 148590503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).