4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

C22H26N4O — CID 68739853

IUPAC4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCC(C)N1CC[C@@H](N(C)C(=O)c2ccc(-n3cc4ccccc4n3)cc2)C1
InChIInChI=1S/C22H26N4O/c1-16(2)25-13-12-20(15-25)24(3)22(27)17-8-10-19(11-9-17)26-14-18-6-4-5-7-21(18)23-26/h4-11,14,16,20H,12-13,15H2,1-3H3/t20-/m1/s1
InChIKeyZKRHOVNZGBARGB-HXUWFJFHSA-N
MW362.48 g/mol
LogP3.58
Rot. Bonds4

About 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 68739853) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID68739853
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCC(C)N1CC[C@@H](N(C)C(=O)c2ccc(-n3cc4ccccc4n3)cc2)C1
InChIInChI=1S/C22H26N4O/c1-16(2)25-13-12-20(15-25)24(3)22(27)17-8-10-19(11-9-17)26-14-18-6-4-5-7-21(18)23-26/h4-11,14,16,20H,12-13,15H2,1-3H3/t20-/m1/s1
InChIKeyZKRHOVNZGBARGB-HXUWFJFHSA-N
XLogP3.58
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 68739853) is 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(-n3cc4ccccc4n3)cc2)C1.
What is the InChIKey of 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is ZKRHOVNZGBARGB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16(2)25-13-12-20(15-25)24(3)22(27)17-8-10-19(11-9-17)26-14-18-6-4-5-7-21(18)23-26/h4-11,14,16,20H,12-13,15H2,1-3H3/t20-/m1/s1.
What are the key properties of 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 362.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68739853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).