N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide

C19H16F5N5O2 — CID 162445071

IUPACN-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnc(N2CCC(OC(F)(F)F)CC2)cn1
InChIInChI=1S/C19H16F5N5O2/c20-12-5-11-14(6-13(12)21)25-7-15(11)28-18(30)16-8-27-17(9-26-16)29-3-1-10(2-4-29)31-19(22,23)24/h5-10,25H,1-4H2,(H,28,30)
InChIKeyYBUWAIFVYVWJLX-UHFFFAOYSA-N
MW441.36 g/mol
LogP3.99
Rot. Bonds4

About N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 162445071) has the molecular formula C19H16F5N5O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID162445071
Molecular FormulaC19H16F5N5O2
Molecular Weight441.36 g/mol
Exact Mass441.12
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnc(N2CCC(OC(F)(F)F)CC2)cn1
InChIInChI=1S/C19H16F5N5O2/c20-12-5-11-14(6-13(12)21)25-7-15(11)28-18(30)16-8-27-17(9-26-16)29-3-1-10(2-4-29)31-19(22,23)24/h5-10,25H,1-4H2,(H,28,30)
InChIKeyYBUWAIFVYVWJLX-UHFFFAOYSA-N
XLogP3.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxamide
CID 162445062
1-[6-(4-chloropiperidin-1-yl)-5-fluoro-3-pyridinyl]-N-(5,6-difluoro-1H-indol-3-yl)triazole-4-carboxamide
CID 162444347
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
N-(5,6-difluoro-1H-indol-3-yl)-5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxamide
CID 162444921
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
N-(5,6-difluoro-1H-indol-3-yl)-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-4-pyridinyl]triazole-4-carboxamide
CID 162444456
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721
2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 162445135
1-(5,6-difluoro-1H-indol-3-yl)-3-[5-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]urea
CID 156574301
5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057491
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide (CID 162445071) is N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnc(N2CCC(OC(F)(F)F)CC2)cn1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is YBUWAIFVYVWJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N5O2/c20-12-5-11-14(6-13(12)21)25-7-15(11)28-18(30)16-8-27-17(9-26-16)29-3-1-10(2-4-29)31-19(22,23)24/h5-10,25H,1-4H2,(H,28,30).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 441.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162445071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).