N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide

C25H30N4O — CID 69251373

IUPACN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cn2ncc3ccccc32)cc1)[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C25H30N4O/c1-27(23-14-15-28(18-23)22-7-3-4-8-22)25(30)20-12-10-19(11-13-20)17-29-24-9-5-2-6-21(24)16-26-29/h2,5-6,9-13,16,22-23H,3-4,7-8,14-15,17-18H2,1H3/t23-/m1/s1
InChIKeyISMUFIKPJIHBIU-HSZRJFAPSA-N
MW402.54 g/mol
LogP4.17
Rot. Bonds5

About N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide

N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide (PubChem CID 69251373) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
PubChem CID69251373
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cn2ncc3ccccc32)cc1)[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C25H30N4O/c1-27(23-14-15-28(18-23)22-7-3-4-8-22)25(30)20-12-10-19(11-13-20)17-29-24-9-5-2-6-21(24)16-26-29/h2,5-6,9-13,16,22-23H,3-4,7-8,14-15,17-18H2,1H3/t23-/m1/s1
InChIKeyISMUFIKPJIHBIU-HSZRJFAPSA-N
XLogP4.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide?
The IUPAC name of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide (CID 69251373) is N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide?
The canonical SMILES for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide is CN(C(=O)c1ccc(Cn2ncc3ccccc32)cc1)[C@@H]1CCN(C2CCCC2)C1.
What is the InChIKey of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide?
The InChIKey is ISMUFIKPJIHBIU-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N4O/c1-27(23-14-15-28(18-23)22-7-3-4-8-22)25(30)20-12-10-19(11-13-20)17-29-24-9-5-2-6-21(24)16-26-29/h2,5-6,9-13,16,22-23H,3-4,7-8,14-15,17-18H2,1H3/t23-/m1/s1.
What are the key properties of N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide?
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide has a molecular weight of 402.54 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 69251373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).