2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide

C16H16F3N5O2S — CID 123226752

IUPAC2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NC1CCN(c2cncc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C16H16F3N5O2S/c17-16(18,19)9-27(25,26)23-11-2-4-24(8-11)13-7-20-5-10-6-22-15-12(14(10)13)1-3-21-15/h1,3,5-7,11,23H,2,4,8-9H2,(H,21,22)
InChIKeyNGZSARXBRUECET-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.17
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide

2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide (PubChem CID 123226752) has the molecular formula C16H16F3N5O2S and a molecular weight of 399.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide
PubChem CID123226752
Molecular FormulaC16H16F3N5O2S
Molecular Weight399.40 g/mol
Exact Mass399.10
IUPAC Name2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NC1CCN(c2cncc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C16H16F3N5O2S/c17-16(18,19)9-27(25,26)23-11-2-4-24(8-11)13-7-20-5-10-6-22-15-12(14(10)13)1-3-21-15/h1,3,5-7,11,23H,2,4,8-9H2,(H,21,22)
InChIKeyNGZSARXBRUECET-UHFFFAOYSA-N
XLogP2.17
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[1-(5,7,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10,12-hexaen-13-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 90079699
1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 123985967
6-methyl-1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140632553
1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide
CID 123551195
[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)piperidin-3-yl] N-(cyanomethyl)carbamate
CID 130362117
N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]prop-2-ene-1-sulfonamide
CID 175807806
2,2,2-trifluoro-N-[1-(5,7,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)piperidin-3-yl]ethanesulfonamide
CID 140686243
2-[3a-methyl-1-(2,2,2-trifluoroethylsulfonyl)-2,3,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 175882391
1-(5,7,8,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaen-13-yl)pyrrolidin-3-amine
CID 90079689
N-[(3S,5R)-5-ethyl-1-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)pyrrolidin-3-yl]-2,2,2-trifluoroethanesulfonamide
CID 137138275
1-cyano-N-[1-(5,7,11,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,10-hexaen-13-yl)pyrrolidin-3-yl]methanesulfonamide
CID 137024719
9-[4-[(3-methylpyrrol-1-yl)sulfonylmethyl]cyclohexyl]-3H-pyrrolo[2,3-c][2,7]naphthyridine
CID 141349510

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide (CID 123226752) is 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide is O=S(=O)(CC(F)(F)F)NC1CCN(c2cncc3cnc4[nH]ccc4c23)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide?
The InChIKey is NGZSARXBRUECET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2S/c17-16(18,19)9-27(25,26)23-11-2-4-24(8-11)13-7-20-5-10-6-22-15-12(14(10)13)1-3-21-15/h1,3,5-7,11,23H,2,4,8-9H2,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide?
2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide has a molecular weight of 399.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)pyrrolidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 123226752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).