N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide

C20H22N4O2 — CID 131971049

IUPACN-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2ccc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc21
InChIInChI=1S/C20H22N4O2/c1-23-19-8-14(6-7-15(19)9-22-23)20(26)21-10-18(25)13-24-11-16-4-2-3-5-17(16)12-24/h2-9,18,25H,10-13H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyGRXCAALZFDFJMF-SFHVURJKSA-N
MW350.42 g/mol
LogP1.68
Rot. Bonds5

About N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide

N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide (PubChem CID 131971049) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide
PubChem CID131971049
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide
SMILESCn1ncc2ccc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc21
InChIInChI=1S/C20H22N4O2/c1-23-19-8-14(6-7-15(19)9-22-23)20(26)21-10-18(25)13-24-11-16-4-2-3-5-17(16)12-24/h2-9,18,25H,10-13H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyGRXCAALZFDFJMF-SFHVURJKSA-N
XLogP1.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-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

N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide
CID 110475586
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 123229349
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114767
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114766
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
1-methyl-N-pyridin-2-ylindazole-6-carboxamide
CID 110475569
N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 121339769
2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methylpyridine-4-carboxamide
CID 118552455
N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 110475629
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-methylpyrazol-3-yl)amino]pyridine-4-carboxamide
CID 118553946
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-(oxetan-3-ylmethyl)pyridine-3-carboxamide
CID 146707166
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[4-(dimethylamino)benzoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 138454790

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide?
The IUPAC name of N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide (CID 131971049) is N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide.
What is the SMILES notation for N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide?
The canonical SMILES for N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide is Cn1ncc2ccc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)cc21.
What is the InChIKey of N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide?
The InChIKey is GRXCAALZFDFJMF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-19-8-14(6-7-15(19)9-22-23)20(26)21-10-18(25)13-24-11-16-4-2-3-5-17(16)12-24/h2-9,18,25H,10-13H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide?
N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 131971049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).