1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C26H31F6N7O2 — CID 159196593

IUPAC1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.O=C(NCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C18H18F3N5O.C8H13F3N2O/c19-18(20,21)10-25-17(27)11-2-1-7-26(9-11)14-4-6-22-13-8-24-16-12(15(13)14)3-5-23-16;9-8(10,11)5-13-7(14)6-2-1-3-12-4-6/h3-6,8,11,22H,1-2,7,9-10H2,(H,25,27);6,12H,1-5H2,(H,13,14)
InChIKeyXEKSZPYJKHIKML-UHFFFAOYSA-N
MW587.57 g/mol
LogP3.67
Rot. Bonds5

About 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 159196593) has the molecular formula C26H31F6N7O2 and a molecular weight of 587.57 g/mol. Its IUPAC name is 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID159196593
Molecular FormulaC26H31F6N7O2
Molecular Weight587.57 g/mol
Exact Mass587.24
IUPAC Name1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.O=C(NCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C18H18F3N5O.C8H13F3N2O/c19-18(20,21)10-25-17(27)11-2-1-7-26(9-11)14-4-6-22-13-8-24-16-12(15(13)14)3-5-23-16;9-8(10,11)5-13-7(14)6-2-1-3-12-4-6/h3-6,8,11,22H,1-2,7,9-10H2,(H,25,27);6,12H,1-5H2,(H,13,14)
InChIKeyXEKSZPYJKHIKML-UHFFFAOYSA-N
XLogP3.67
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.57
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

3,3,3-trifluoro-N-methyl-N-piperidin-3-ylpropanamide;3,3,3-trifluoro-N-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-3-yl]propanamide
CID 157406909
1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 140686247
1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 140686230
1-(5,7,8,10,11-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140686244
1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 137153844
1-(11-methyl-5,7,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140686273
1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 123985967
6-methyl-1-(5,7,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 137158623
methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)pyrrolidin-3-yl]boronamidic acid
CID 136610775
N-[1-[2-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperidin-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137211045
N-[1-[2-[4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)piperazin-1-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 137210975
N-propyl-1-(5,7,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)pyrrolidine-3-carboxamide
CID 136631260

Frequently Asked Questions

What is the IUPAC name of 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 159196593) is 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(c2cc[nH]c3cnc4nccc4c23)C1.O=C(NCC(F)(F)F)C1CCCNC1.
What is the InChIKey of 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is XEKSZPYJKHIKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O.C8H13F3N2O/c19-18(20,21)10-25-17(27)11-2-1-7-26(9-11)14-4-6-22-13-8-24-16-12(15(13)14)3-5-23-16;9-8(10,11)5-13-7(14)6-2-1-3-12-4-6/h3-6,8,11,22H,1-2,7,9-10H2,(H,25,27);6,12H,1-5H2,(H,13,14).
What are the key properties of 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 587.57 g/mol, XLogP of 3.67, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 159196593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).