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

C24H28N4O — CID 56646634

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
SMILESCc1[nH]nc2ccc(C3(C(=O)N[C@H](CN4CCCC4)c4ccccc4)CC3)cc12
InChIInChI=1S/C24H28N4O/c1-17-20-15-19(9-10-21(20)27-26-17)24(11-12-24)23(29)25-22(16-28-13-5-6-14-28)18-7-3-2-4-8-18/h2-4,7-10,15,22H,5-6,11-14,16H2,1H3,(H,25,29)(H,26,27)/t22-/m1/s1
InChIKeyZZSYQAFKVIQGMU-JOCHJYFZSA-N
MW388.52 g/mol
LogP3.86
Rot. Bonds6

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

1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide (PubChem CID 56646634) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
PubChem CID56646634
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
SMILESCc1[nH]nc2ccc(C3(C(=O)N[C@H](CN4CCCC4)c4ccccc4)CC3)cc12
InChIInChI=1S/C24H28N4O/c1-17-20-15-19(9-10-21(20)27-26-17)24(11-12-24)23(29)25-22(16-28-13-5-6-14-28)18-7-3-2-4-8-18/h2-4,7-10,15,22H,5-6,11-14,16H2,1H3,(H,25,29)(H,26,27)/t22-/m1/s1
InChIKeyZZSYQAFKVIQGMU-JOCHJYFZSA-N
XLogP3.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide (CID 56646634) is 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide is Cc1[nH]nc2ccc(C3(C(=O)N[C@H](CN4CCCC4)c4ccccc4)CC3)cc12.
What is the InChIKey of 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is ZZSYQAFKVIQGMU-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-20-15-19(9-10-21(20)27-26-17)24(11-12-24)23(29)25-22(16-28-13-5-6-14-28)18-7-3-2-4-8-18/h2-4,7-10,15,22H,5-6,11-14,16H2,1H3,(H,25,29)(H,26,27)/t22-/m1/s1.
What are the key properties of 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide?
1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-indazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56646634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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