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

C22H18F6N4O2 — CID 162444921

IUPACN-(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
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnc(N2CC3(CC(OCC(F)(F)F)C3)C2)c(F)c1
InChIInChI=1S/C22H18F6N4O2/c23-14-2-13-17(3-15(14)24)29-7-18(13)31-20(33)11-1-16(25)19(30-6-11)32-8-21(9-32)4-12(5-21)34-10-22(26,27)28/h1-3,6-7,12,29H,4-5,8-10H2,(H,31,33)
InChIKeyDNAGGJQLCZBLPO-UHFFFAOYSA-N
MW484.40 g/mol
LogP4.78
Rot. Bonds5

About 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

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 (PubChem CID 162444921) has the molecular formula C22H18F6N4O2 and a molecular weight of 484.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID162444921
Molecular FormulaC22H18F6N4O2
Molecular Weight484.40 g/mol
Exact Mass484.13
IUPAC NameN-(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
SMILESO=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnc(N2CC3(CC(OCC(F)(F)F)C3)C2)c(F)c1
InChIInChI=1S/C22H18F6N4O2/c23-14-2-13-17(3-15(14)24)29-7-18(13)31-20(33)11-1-16(25)19(30-6-11)32-8-21(9-32)4-12(5-21)34-10-22(26,27)28/h1-3,6-7,12,29H,4-5,8-10H2,(H,31,33)
InChIKeyDNAGGJQLCZBLPO-UHFFFAOYSA-N
XLogP4.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-6-[6-(2,2,2-trifluoroethoxy)-2-azaspiro[3.3]heptan-2-yl]pyridine-3-carboxylic acid
CID 162445072
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
5,6-difluoro-N-[1-[5-fluoro-6-[6-(3,3,3-trifluoropropyl)spiro[3.3]heptan-2-yl]-3-pyridinyl]ethenyl]-1H-indol-3-amine
CID 162445017
N-(5,6-difluoro-1H-indol-3-yl)-6-(4,4-difluoropiperidin-1-yl)pyridine-3-carboxamide
CID 162445062
N-(5,6-difluoro-1H-indol-3-yl)-5-[4-(trifluoromethoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 162445071
6-butoxy-N-(5,6-difluoro-1H-indol-3-yl)pyridine-3-carboxamide
CID 170068393
2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 162445135
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)-4-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 162444582
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
4-cyclohexyloxy-N-(5,6-difluoro-1H-indol-3-yl)benzamide
CID 162444906
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnc(N2CC3(CC(OCC(F)(F)F)C3)C2)c(F)c1.
What is the InChIKey of 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?
The InChIKey is DNAGGJQLCZBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F6N4O2/c23-14-2-13-17(3-15(14)24)29-7-18(13)31-20(33)11-1-16(25)19(30-6-11)32-8-21(9-32)4-12(5-21)34-10-22(26,27)28/h1-3,6-7,12,29H,4-5,8-10H2,(H,31,33).
What are the key properties of 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?
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 has a molecular weight of 484.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162444921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).