N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide

C19H21N5O2 — CID 127587056

IUPACN-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C19H21N5O2/c1-26-18-5-3-2-4-17(18)23-8-10-24(11-9-23)19(25)21-15-7-6-14-13-20-22-16(14)12-15/h2-7,12-13H,8-11H2,1H3,(H,20,22)(H,21,25)
InChIKeyIVBOJVQZHZQPAE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.93
Rot. Bonds3

About N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 127587056) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID127587056
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C19H21N5O2/c1-26-18-5-3-2-4-17(18)23-8-10-24(11-9-23)19(25)21-15-7-6-14-13-20-22-16(14)12-15/h2-7,12-13H,8-11H2,1H3,(H,20,22)(H,21,25)
InChIKeyIVBOJVQZHZQPAE-UHFFFAOYSA-N
XLogP2.93
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-1H-indazol-4-yl-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11382514
N-(2-methoxyphenyl)-3-phenyl-1H-indazol-6-amine
CID 10149689
1-(4-Phenoxy-benzyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11396908
1-[2-(4-Phenoxy-phenyl)-ethyl]-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11454184
1-(4-Benzyloxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11518159
1-(chroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 11638123
1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11669102
1-(1H-indazol-4-yl)-3-(8-morpholinochroman-4-yl)urea
CID 11696849
1-(1-(cyclohexylmethyl)-6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)-3-(1H-indazol-4-yl)urea
CID 11711740
1-(1H-indazol-4-yl)-3-(8-(piperidin-1-yl)chroman-4-yl)urea
CID 11718098
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
1-(6-fluorochroman-4-yl)-3-(1H-indazol-4-yl)urea
CID 53251173

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 127587056) is N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is IVBOJVQZHZQPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-18-5-3-2-4-17(18)23-8-10-24(11-9-23)19(25)21-15-7-6-14-13-20-22-16(14)12-15/h2-7,12-13H,8-11H2,1H3,(H,20,22)(H,21,25).
What are the key properties of N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 127587056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).