N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H26N4O2 — CID 46957467

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccccc1CN(Cc1cccnc1)C(=O)c1c2c(nn1C)CCCC2
InChIInChI=1S/C23H26N4O2/c1-26-22(19-10-4-5-11-20(19)25-26)23(28)27(15-17-8-7-13-24-14-17)16-18-9-3-6-12-21(18)29-2/h3,6-9,12-14H,4-5,10-11,15-16H2,1-2H3
InChIKeyWZCURQSSCBQXSE-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.55
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 46957467) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID46957467
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccccc1CN(Cc1cccnc1)C(=O)c1c2c(nn1C)CCCC2
InChIInChI=1S/C23H26N4O2/c1-26-22(19-10-4-5-11-20(19)25-26)23(28)27(15-17-8-7-13-24-14-17)16-18-9-3-6-12-21(18)29-2/h3,6-9,12-14H,4-5,10-11,15-16H2,1-2H3
InChIKeyWZCURQSSCBQXSE-UHFFFAOYSA-N
XLogP3.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-[(2-methoxyphenyl)methyl]-2-methyl-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 46998936
2-ethyl-N-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 46957416
N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 92584798
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113119744
3-(diethylsulfamoyl)-4-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983352
3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 47068322
3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3340514
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
(1S,4R)-N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-methylidene-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98132705

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 46957467) is N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is COc1ccccc1CN(Cc1cccnc1)C(=O)c1c2c(nn1C)CCCC2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is WZCURQSSCBQXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26-22(19-10-4-5-11-20(19)25-26)23(28)27(15-17-8-7-13-24-14-17)16-18-9-3-6-12-21(18)29-2/h3,6-9,12-14H,4-5,10-11,15-16H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 46957467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).