N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide

C22H26N4O2 — CID 78859024

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2n[nH]c3ccc(C)cc23)N2CCCC2)c1
InChIInChI=1S/C22H26N4O2/c1-15-8-9-19-18(12-15)21(25-24-19)22(27)23-14-20(26-10-3-4-11-26)16-6-5-7-17(13-16)28-2/h5-9,12-13,20H,3-4,10-11,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyXZQBFYBJRPQAKV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.45
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78859024) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78859024
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2n[nH]c3ccc(C)cc23)N2CCCC2)c1
InChIInChI=1S/C22H26N4O2/c1-15-8-9-19-18(12-15)21(25-24-19)22(27)23-14-20(26-10-3-4-11-26)16-6-5-7-17(13-16)28-2/h5-9,12-13,20H,3-4,10-11,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyXZQBFYBJRPQAKV-UHFFFAOYSA-N
XLogP3.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 52798650
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 166208823
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 42945536
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 46536982
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide (CID 78859024) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide is COc1cccc(C(CNC(=O)c2n[nH]c3ccc(C)cc23)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is XZQBFYBJRPQAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-8-9-19-18(12-15)21(25-24-19)22(27)23-14-20(26-10-3-4-11-26)16-6-5-7-17(13-16)28-2/h5-9,12-13,20H,3-4,10-11,14H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78859024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).