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

C25H30N4O2 — CID 66685314

IUPACN-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1cccc(C(CN2CCCC2)NC(=O)C2(c3ccc4n[nH]c(C)c4c3)CC2)c1
InChIInChI=1S/C25H30N4O2/c1-17-21-15-19(8-9-22(21)28-27-17)25(10-11-25)24(30)26-23(16-29-12-3-4-13-29)18-6-5-7-20(14-18)31-2/h5-9,14-15,23H,3-4,10-13,16H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyJWBKAIYEGDBHLB-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.86
Rot. Bonds7

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

N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 66685314) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide
PubChem CID66685314
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide
SMILESCOc1cccc(C(CN2CCCC2)NC(=O)C2(c3ccc4n[nH]c(C)c4c3)CC2)c1
InChIInChI=1S/C25H30N4O2/c1-17-21-15-19(8-9-22(21)28-27-17)25(10-11-25)24(30)26-23(16-29-12-3-4-13-29)18-6-5-7-20(14-18)31-2/h5-9,14-15,23H,3-4,10-13,16H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyJWBKAIYEGDBHLB-UHFFFAOYSA-N
XLogP3.86
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56646634
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 66692493
2-[3-[(1S)-1-[[1-[3-(methanesulfonamido)phenyl]cyclopropanecarbonyl]amino]-2-pyrrolidin-1-ylethyl]phenoxy]acetic acid
CID 66685250
1-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane;hydrochloride
CID 157098147
1-(3-phenylmethoxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685367
1-(3-hydroxyphenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66684992
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
[4-[1-[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]carbamoyl]cyclopropyl]phenyl] methanesulfonate;hydrochloride
CID 87105945
1-[3-(methanesulfonamido)-4-methylphenyl]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;sulfane
CID 159270018
1-(1-methylbenzotriazol-5-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 56646030
N-[(1S)-1-(3-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-1H-isoindol-5-yl)cyclopropane-1-carboxamide
CID 159775052

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide (CID 66685314) is N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide is COc1cccc(C(CN2CCCC2)NC(=O)C2(c3ccc4n[nH]c(C)c4c3)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is JWBKAIYEGDBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17-21-15-19(8-9-22(21)28-27-17)25(10-11-25)24(30)26-23(16-29-12-3-4-13-29)18-6-5-7-20(14-18)31-2/h5-9,14-15,23H,3-4,10-13,16H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide?
N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 66685314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).