N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide

C21H22FN3O3 — CID 162682754

IUPACN-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCOc1ccc(F)cc1CC1(NC(=O)c2cc3c(ccn3CCO)cn2)CC1
InChIInChI=1S/C21H22FN3O3/c1-28-19-3-2-16(22)10-15(19)12-21(5-6-21)24-20(27)17-11-18-14(13-23-17)4-7-25(18)8-9-26/h2-4,7,10-11,13,26H,5-6,8-9,12H2,1H3,(H,24,27)
InChIKeyYVKLKXPRQMLVKM-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.68
Rot. Bonds7

About N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide

N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 162682754) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID162682754
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCOc1ccc(F)cc1CC1(NC(=O)c2cc3c(ccn3CCO)cn2)CC1
InChIInChI=1S/C21H22FN3O3/c1-28-19-3-2-16(22)10-15(19)12-21(5-6-21)24-20(27)17-11-18-14(13-23-17)4-7-25(18)8-9-26/h2-4,7,10-11,13,26H,5-6,8-9,12H2,1H3,(H,24,27)
InChIKeyYVKLKXPRQMLVKM-UHFFFAOYSA-N
XLogP2.68
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide 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

4-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808
4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682920
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682810
1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 83688380
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682831
N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 162682953
methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
CID 44549659
1-[(2-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266262
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
5-(bromomethyl)-N-(1-cyanocyclopropyl)-4-methoxypyridine-2-carboxamide
CID 166088133

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide (CID 162682754) is N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide is COc1ccc(F)cc1CC1(NC(=O)c2cc3c(ccn3CCO)cn2)CC1.
What is the InChIKey of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is YVKLKXPRQMLVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-28-19-3-2-16(22)10-15(19)12-21(5-6-21)24-20(27)17-11-18-14(13-23-17)4-7-25(18)8-9-26/h2-4,7,10-11,13,26H,5-6,8-9,12H2,1H3,(H,24,27).
What are the key properties of N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide?
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 162682754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).