5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C18H14ClF3N4O2 — CID 143235816

IUPAC5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1Cc2ccc(C(F)(F)F)cc2NC1O)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C18H14ClF3N4O2/c19-15-5-9-4-12(24-14(9)7-23-15)16(27)26-13-3-8-1-2-10(18(20,21)22)6-11(8)25-17(13)28/h1-2,4-7,13,17,24-25,28H,3H2,(H,26,27)
InChIKeyCFNIJWYWEOXUNO-UHFFFAOYSA-N
MW410.78 g/mol
LogP3.32
Rot. Bonds2

About 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 143235816) has the molecular formula C18H14ClF3N4O2 and a molecular weight of 410.78 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID143235816
Molecular FormulaC18H14ClF3N4O2
Molecular Weight410.78 g/mol
Exact Mass410.08
IUPAC Name5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NC1Cc2ccc(C(F)(F)F)cc2NC1O)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C18H14ClF3N4O2/c19-15-5-9-4-12(24-14(9)7-23-15)16(27)26-13-3-8-1-2-10(18(20,21)22)6-11(8)25-17(13)28/h1-2,4-7,13,17,24-25,28H,3H2,(H,26,27)
InChIKeyCFNIJWYWEOXUNO-UHFFFAOYSA-N
XLogP3.32
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 59753529
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CID 59753643
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CID 11510762
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;molecular hydrogen
CID 158230154
[1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidin-4-yl] acetate
CID 59753732
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-[methyl(oxan-4-yl)amino]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753713
5-chloro-N-[[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 76852796
5-chloro-N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 143235816) is 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(NC1Cc2ccc(C(F)(F)F)cc2NC1O)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is CFNIJWYWEOXUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2/c19-15-5-9-4-12(24-14(9)7-23-15)16(27)26-13-3-8-1-2-10(18(20,21)22)6-11(8)25-17(13)28/h1-2,4-7,13,17,24-25,28H,3H2,(H,26,27).
What are the key properties of 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 3.32, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-7-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 143235816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).