2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

C20H19F3N4O3 — CID 177163645

IUPAC2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCc1c(O)ccc(C2CC2)c1-n1c(N)c(C(N)=O)c2cc(C(F)(F)F)n(C)c(=O)c21
InChIInChI=1S/C20H19F3N4O3/c1-8-12(28)6-5-10(9-3-4-9)15(8)27-16-11(14(17(27)24)18(25)29)7-13(20(21,22)23)26(2)19(16)30/h5-7,9,28H,3-4,24H2,1-2H3,(H2,25,29)
InChIKeyPILPARGQQYVVKN-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.92
Rot. Bonds3

About 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide

2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 177163645) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
PubChem CID177163645
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
SMILESCc1c(O)ccc(C2CC2)c1-n1c(N)c(C(N)=O)c2cc(C(F)(F)F)n(C)c(=O)c21
InChIInChI=1S/C20H19F3N4O3/c1-8-12(28)6-5-10(9-3-4-9)15(8)27-16-11(14(17(27)24)18(25)29)7-13(20(21,22)23)26(2)19(16)30/h5-7,9,28H,3-4,24H2,1-2H3,(H2,25,29)
InChIKeyPILPARGQQYVVKN-UHFFFAOYSA-N
XLogP2.92
TPSA116.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide (CID 177163645) is 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is Cc1c(O)ccc(C2CC2)c1-n1c(N)c(C(N)=O)c2cc(C(F)(F)F)n(C)c(=O)c21.
What is the InChIKey of 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
The InChIKey is PILPARGQQYVVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-8-12(28)6-5-10(9-3-4-9)15(8)27-16-11(14(17(27)24)18(25)29)7-13(20(21,22)23)26(2)19(16)30/h5-7,9,28H,3-4,24H2,1-2H3,(H2,25,29).
What are the key properties of 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide?
2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-cyclopropyl-3-hydroxy-2-methylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 177163645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).