N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide

C20H22N4O2 — CID 118929134

IUPACN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide
SMILESO=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc2cn[nH]c12
InChIInChI=1S/C20H22N4O2/c25-17(11-21-16-8-13-4-1-2-5-14(13)9-16)12-22-20(26)18-7-3-6-15-10-23-24-19(15)18/h1-7,10,16-17,21,25H,8-9,11-12H2,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyDOXKSANQVZKTHU-KRWDZBQOSA-N
MW350.42 g/mol
LogP1.41
Rot. Bonds6

About N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide

N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide (PubChem CID 118929134) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide
PubChem CID118929134
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide
SMILESO=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc2cn[nH]c12
InChIInChI=1S/C20H22N4O2/c25-17(11-21-16-8-13-4-1-2-5-14(13)9-16)12-22-20(26)18-7-3-6-15-10-23-24-19(15)18/h1-7,10,16-17,21,25H,8-9,11-12H2,(H,22,26)(H,23,24)/t17-/m0/s1
InChIKeyDOXKSANQVZKTHU-KRWDZBQOSA-N
XLogP1.41
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
4-[[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 118918265
4-[[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]carbamoyl]benzoic acid
CID 118918219
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
CID 47024547
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 111424764
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
CID 109380508
3-(difluoromethoxy)-N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]benzamide
CID 118929130
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-6-phenylmethoxypyridine-3-carboxamide
CID 130406030
6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide
CID 118918477

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide (CID 118929134) is N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide is O=C(NC[C@@H](O)CNC1Cc2ccccc2C1)c1cccc2cn[nH]c12.
What is the InChIKey of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide?
The InChIKey is DOXKSANQVZKTHU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-17(11-21-16-8-13-4-1-2-5-14(13)9-16)12-22-20(26)18-7-3-6-15-10-23-24-19(15)18/h1-7,10,16-17,21,25H,8-9,11-12H2,(H,22,26)(H,23,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide?
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 118929134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).