N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C20H16F3N5O3S — CID 118160918

IUPACN-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cncc(C(F)(F)F)c2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C20H16F3N5O3S/c21-20(22,23)15-5-18(9-25-7-15)32(30,31)17-2-1-16(26-10-17)8-27-19(29)28-11-13-3-4-24-6-14(13)12-28/h1-7,9-10H,8,11-12H2,(H,27,29)
InChIKeyFTSQARSEWQEIOG-UHFFFAOYSA-N
MW463.44 g/mol
LogP2.95
Rot. Bonds4

About N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 118160918) has the molecular formula C20H16F3N5O3S and a molecular weight of 463.44 g/mol. Its IUPAC name is N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID118160918
Molecular FormulaC20H16F3N5O3S
Molecular Weight463.44 g/mol
Exact Mass463.09
IUPAC NameN-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cncc(C(F)(F)F)c2)cn1)N1Cc2ccncc2C1
InChIInChI=1S/C20H16F3N5O3S/c21-20(22,23)15-5-18(9-25-7-15)32(30,31)17-2-1-16(26-10-17)8-27-19(29)28-11-13-3-4-24-6-14(13)12-28/h1-7,9-10H,8,11-12H2,(H,27,29)
InChIKeyFTSQARSEWQEIOG-UHFFFAOYSA-N
XLogP2.95
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 118160918) is N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cncc(C(F)(F)F)c2)cn1)N1Cc2ccncc2C1.
What is the InChIKey of N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is FTSQARSEWQEIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S/c21-20(22,23)15-5-18(9-25-7-15)32(30,31)17-2-1-16(26-10-17)8-27-19(29)28-11-13-3-4-24-6-14(13)12-28/h1-7,9-10H,8,11-12H2,(H,27,29).
What are the key properties of N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 463.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[5-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 118160918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).