N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C19H19F2N5O — CID 166244884

IUPACN-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ccn(C(F)F)c2c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H19F2N5O/c20-19(21)26-10-5-13-1-2-15(11-16(13)26)24-18(27)14-3-8-25(9-4-14)17-12-22-6-7-23-17/h1-2,5-7,10-12,14,19H,3-4,8-9H2,(H,24,27)
InChIKeyATPINPJATULUKR-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.68
Rot. Bonds4

About N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 166244884) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID166244884
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC NameN-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ccn(C(F)F)c2c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H19F2N5O/c20-19(21)26-10-5-13-1-2-15(11-16(13)26)24-18(27)14-3-8-25(9-4-14)17-12-22-6-7-23-17/h1-2,5-7,10-12,14,19H,3-4,8-9H2,(H,24,27)
InChIKeyATPINPJATULUKR-UHFFFAOYSA-N
XLogP3.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166239062
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 78892568
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-[4-(1H-imidazol-5-yl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136577610
N-[3-(methoxymethyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33288627
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 30840212
3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
CID 126794812
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 120566735

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 166244884) is N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc2ccn(C(F)F)c2c1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is ATPINPJATULUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c20-19(21)26-10-5-13-1-2-15(11-16(13)26)24-18(27)14-3-8-25(9-4-14)17-12-22-6-7-23-17/h1-2,5-7,10-12,14,19H,3-4,8-9H2,(H,24,27).
What are the key properties of N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)indol-6-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 166244884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).