N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine

C22H21FN6 — CID 58521782

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESC[C@@H](c1ccc(F)cc1)N(C)c1cc(-c2cn[nH]c2)cc(Cc2cnccn2)n1
InChIInChI=1S/C22H21FN6/c1-15(16-3-5-19(23)6-4-16)29(2)22-10-17(18-12-26-27-13-18)9-20(28-22)11-21-14-24-7-8-25-21/h3-10,12-15H,11H2,1-2H3,(H,26,27)/t15-/m0/s1
InChIKeyFSSWVPPLKHOBST-HNNXBMFYSA-N
MW388.45 g/mol
LogP4.19
Rot. Bonds6

About N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine

N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 58521782) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID58521782
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine
SMILESC[C@@H](c1ccc(F)cc1)N(C)c1cc(-c2cn[nH]c2)cc(Cc2cnccn2)n1
InChIInChI=1S/C22H21FN6/c1-15(16-3-5-19(23)6-4-16)29(2)22-10-17(18-12-26-27-13-18)9-20(28-22)11-21-14-24-7-8-25-21/h3-10,12-15H,11H2,1-2H3,(H,26,27)/t15-/m0/s1
InChIKeyFSSWVPPLKHOBST-HNNXBMFYSA-N
XLogP4.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine (CID 58521782) is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine is C[C@@H](c1ccc(F)cc1)N(C)c1cc(-c2cn[nH]c2)cc(Cc2cnccn2)n1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is FSSWVPPLKHOBST-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-15(16-3-5-19(23)6-4-16)29(2)22-10-17(18-12-26-27-13-18)9-20(28-22)11-21-14-24-7-8-25-21/h3-10,12-15H,11H2,1-2H3,(H,26,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 388.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-6-(pyrazin-2-ylmethyl)-4-(1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 58521782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).