6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine

C21H22FN7 — CID 167418725

IUPAC6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@@H](Nc1cc(C2C=NN(C)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-12,14,17H,13H2,1-2H3,(H2,24,26,27,28)/t14-,17?/m1/s1
InChIKeyNYVGAMDZCBNEKS-XPCCGILXSA-N
MW391.45 g/mol
LogP3.94
Rot. Bonds6

About 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine

6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine (PubChem CID 167418725) has the molecular formula C21H22FN7 and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
PubChem CID167418725
Molecular FormulaC21H22FN7
Molecular Weight391.45 g/mol
Exact Mass391.19
IUPAC Name6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@@H](Nc1cc(C2C=NN(C)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-12,14,17H,13H2,1-2H3,(H2,24,26,27,28)/t14-,17?/m1/s1
InChIKeyNYVGAMDZCBNEKS-XPCCGILXSA-N
XLogP3.94
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine 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-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine (CID 167418725) is 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine is C[C@@H](Nc1cc(C2C=NN(C)C2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The InChIKey is NYVGAMDZCBNEKS-XPCCGILXSA-N. The full InChI is InChI=1S/C21H22FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-12,14,17H,13H2,1-2H3,(H2,24,26,27,28)/t14-,17?/m1/s1.
What are the key properties of 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine has a molecular weight of 391.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(2-methyl-3,4-dihydropyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 167418725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).