1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide

C26H26N4O2 — CID 117073646

IUPAC1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(Cc2ccccc2)CC1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C26H26N4O2/c1-32-25-10-6-5-9-21(25)22-16-30(15-18-7-3-2-4-8-18)17-23(22)26(31)28-20-11-12-24-19(13-20)14-27-29-24/h2-14,22-23H,15-17H2,1H3,(H,27,29)(H,28,31)
InChIKeyCZCDNTCHLKFKFW-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.43
Rot. Bonds6

About 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide

1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 117073646) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID117073646
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1C1CN(Cc2ccccc2)CC1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C26H26N4O2/c1-32-25-10-6-5-9-21(25)22-16-30(15-18-7-3-2-4-8-18)17-23(22)26(31)28-20-11-12-24-19(13-20)14-27-29-24/h2-14,22-23H,15-17H2,1H3,(H,27,29)(H,28,31)
InChIKeyCZCDNTCHLKFKFW-UHFFFAOYSA-N
XLogP4.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073640
1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117073639
1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073630
1-benzyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53422379
N-(1H-indazol-5-yl)-1-[[3-(methylcarbamoyl)phenyl]methyl]azetidine-3-carboxamide
CID 166313243
methyl (3R,4S)-1-benzyl-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 54529313
(3R,4S)-1-[(4-acetylphenyl)methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133136093
(3S,4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70716953
(3R,4S)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133134373
(3S,4R)-1-benzyl-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70344014
1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
CID 156611571
(3S,4R)-4-(2-methoxyphenyl)-1-[(2-propylpyrimidin-5-yl)methyl]pyrrolidine-3-carboxylic acid
CID 70756417

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide (CID 117073646) is 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide is COc1ccccc1C1CN(Cc2ccccc2)CC1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CZCDNTCHLKFKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-32-25-10-6-5-9-21(25)22-16-30(15-18-7-3-2-4-8-18)17-23(22)26(31)28-20-11-12-24-19(13-20)14-27-29-24/h2-14,22-23H,15-17H2,1H3,(H,27,29)(H,28,31).
What are the key properties of 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide?
1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1H-indazol-5-yl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117073646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).