5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C19H17F3N6OS — CID 76571235

IUPAC5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESNC(CNc1ncc(-c2cnc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H17F3N6OS/c20-19(21,22)15-2-1-10(6-24-15)3-13(23)8-26-18-27-9-14(30-18)12-4-11-5-16(29)28-17(11)25-7-12/h1-2,4,6-7,9,13H,3,5,8,23H2,(H,26,27)(H,25,28,29)
InChIKeyOCRAURPTXNLEDM-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.10
Rot. Bonds6

About 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 76571235) has the molecular formula C19H17F3N6OS and a molecular weight of 434.45 g/mol. Its IUPAC name is 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID76571235
Molecular FormulaC19H17F3N6OS
Molecular Weight434.45 g/mol
Exact Mass434.11
IUPAC Name5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESNC(CNc1ncc(-c2cnc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H17F3N6OS/c20-19(21,22)15-2-1-10(6-24-15)3-13(23)8-26-18-27-9-14(30-18)12-4-11-5-16(29)28-17(11)25-7-12/h1-2,4,6-7,9,13H,3,5,8,23H2,(H,26,27)(H,25,28,29)
InChIKeyOCRAURPTXNLEDM-UHFFFAOYSA-N
XLogP3.10
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 76571235) is 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is NC(CNc1ncc(-c2cnc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is OCRAURPTXNLEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6OS/c20-19(21,22)15-2-1-10(6-24-15)3-13(23)8-26-18-27-9-14(30-18)12-4-11-5-16(29)28-17(11)25-7-12/h1-2,4,6-7,9,13H,3,5,8,23H2,(H,26,27)(H,25,28,29).
What are the key properties of 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 434.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 76571235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).