1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C24H24F3N5O5 — CID 117078336

IUPAC1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2CCCO)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N5O3.C2HF3O2/c1-30-18-5-2-4-15(10-18)12-23-22(29)20-11-16-6-7-19(17-13-24-25-14-17)26-21(16)27(20)8-3-9-28;3-2(4,5)1(6)7/h2,4-7,10-11,13-14,28H,3,8-9,12H2,1H3,(H,23,29)(H,24,25);(H,6,7)
InChIKeyGRNHGQAZIWHXOT-UHFFFAOYSA-N
MW519.48 g/mol
LogP3.38
Rot. Bonds8

About 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117078336) has the molecular formula C24H24F3N5O5 and a molecular weight of 519.48 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID117078336
Molecular FormulaC24H24F3N5O5
Molecular Weight519.48 g/mol
Exact Mass519.17
IUPAC Name1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2CCCO)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N5O3.C2HF3O2/c1-30-18-5-2-4-15(10-18)12-23-22(29)20-11-16-6-7-19(17-13-24-25-14-17)26-21(16)27(20)8-3-9-28;3-2(4,5)1(6)7/h2,4-7,10-11,13-14,28H,3,8-9,12H2,1H3,(H,23,29)(H,24,25);(H,6,7)
InChIKeyGRNHGQAZIWHXOT-UHFFFAOYSA-N
XLogP3.38
TPSA142.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.48
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid 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

N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117077597
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57395101
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)indole-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077932
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117077844
1-[4-amino-1-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 67107368
N-[[2-(fluoromethyl)phenyl]methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 171835080
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]urea
CID 68566487
1-[2-(4-hydroxycyclohexyl)oxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea;2,2,2-trifluoroacetic acid
CID 117077211
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117077677
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-pyridin-4-ylindole-2-carboxamide
CID 52935713
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 117078336) is 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is COc1cccc(CNC(=O)c2cc3ccc(-c4cn[nH]c4)nc3n2CCCO)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GRNHGQAZIWHXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3.C2HF3O2/c1-30-18-5-2-4-15(10-18)12-23-22(29)20-11-16-6-7-19(17-13-24-25-14-17)26-21(16)27(20)8-3-9-28;3-2(4,5)1(6)7/h2,4-7,10-11,13-14,28H,3,8-9,12H2,1H3,(H,23,29)(H,24,25);(H,6,7).
What are the key properties of 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 519.48 g/mol, XLogP of 3.38, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117078336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).