6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine

C21H22F2N4O — CID 171085802

IUPAC6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine
SMILESCOc1cc(C)cc(C(F)F)c1-c1ccc2ncc(C3CCCNC3)nc2n1
InChIInChI=1S/C21H22F2N4O/c1-12-8-14(20(22)23)19(18(9-12)28-2)15-5-6-16-21(26-15)27-17(11-25-16)13-4-3-7-24-10-13/h5-6,8-9,11,13,20,24H,3-4,7,10H2,1-2H3
InChIKeyGHWVBSKJTVBZNX-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.41
Rot. Bonds4

About 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine

6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine (PubChem CID 171085802) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine
PubChem CID171085802
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine
SMILESCOc1cc(C)cc(C(F)F)c1-c1ccc2ncc(C3CCCNC3)nc2n1
InChIInChI=1S/C21H22F2N4O/c1-12-8-14(20(22)23)19(18(9-12)28-2)15-5-6-16-21(26-15)27-17(11-25-16)13-4-3-7-24-10-13/h5-6,8-9,11,13,20,24H,3-4,7,10H2,1-2H3
InChIKeyGHWVBSKJTVBZNX-UHFFFAOYSA-N
XLogP4.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-4,6-dimethylphenyl)-7-pyrrolidin-3-yl-1,8-naphthyridine
CID 171085869
tert-butyl 3-[6-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-b]pyrazin-3-yl]piperidine-1-carboxylate
CID 171085766
2-methoxy-3-methyl-5-piperidin-3-ylpyrazine
CID 83833851
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]piperidine
CID 117430926
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
5-methoxy-3-methyl-2-[3-[(3R)-1-methylpiperidin-3-yl]pyrido[2,3-b]pyrazin-6-yl]phenol
CID 171085866
2-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]pyrazine
CID 95846535
2-[3-[3-[tert-butyl(diphenyl)silyl]oxypiperidin-4-yl]pyrido[2,3-b]pyrazin-6-yl]-3,5-dimethylphenol
CID 171085750
3-[2-(1-fluoroethyl)-6-methoxyphenyl]piperidine
CID 84700224
2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine
CID 95825460
4-methoxy-7-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 84638955
3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696

Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine?
The IUPAC name of 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine (CID 171085802) is 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine.
What is the SMILES notation for 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine?
The canonical SMILES for 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine is COc1cc(C)cc(C(F)F)c1-c1ccc2ncc(C3CCCNC3)nc2n1.
What is the InChIKey of 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine?
The InChIKey is GHWVBSKJTVBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c1-12-8-14(20(22)23)19(18(9-12)28-2)15-5-6-16-21(26-15)27-17(11-25-16)13-4-3-7-24-10-13/h5-6,8-9,11,13,20,24H,3-4,7,10H2,1-2H3.
What are the key properties of 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine?
6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine has a molecular weight of 384.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethyl)-6-methoxy-4-methylphenyl]-3-piperidin-3-ylpyrido[2,3-b]pyrazine is sourced from PubChem (CID 171085802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).