2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide

C18H21N5O — CID 167750295

IUPAC2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2cn[nH]c2C2CCNC2)c2ccccc21
InChIInChI=1S/C18H21N5O/c1-23-11-13(14-4-2-3-5-16(14)23)8-17(24)21-15-10-20-22-18(15)12-6-7-19-9-12/h2-5,10-12,19H,6-9H2,1H3,(H,20,22)(H,21,24)
InChIKeyJUCJBNOMJKRYHA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.16
Rot. Bonds4

About 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide

2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide (PubChem CID 167750295) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
PubChem CID167750295
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2cn[nH]c2C2CCNC2)c2ccccc21
InChIInChI=1S/C18H21N5O/c1-23-11-13(14-4-2-3-5-16(14)23)8-17(24)21-15-10-20-22-18(15)12-6-7-19-9-12/h2-5,10-12,19H,6-9H2,1H3,(H,20,22)(H,21,24)
InChIKeyJUCJBNOMJKRYHA-UHFFFAOYSA-N
XLogP2.16
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
N-{1-[(1s)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259491
N-{1-[(1r)-3-(Dimethylamino)-1-Phenylpropyl]-1h-Pyrazol-4-Yl}-6-(1h-Pyrazol-4-Yl)-1h-Indazole-3-Carboxamide
CID 71259555
bisindolylmaleimide II
CID 2397
3-[1-(2-aminoethyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327932
3-(1H-indol-3-yl)-4-{1-[3-(methylamino)propyl]-1H-indol-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5330713
3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione
CID 448642
3-(1H-indol-3-yl)-4-(1-(2-((2S)-1-methylpyrrolidinyl)ethyl)-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 448943
(2'S,3R)-2'-[3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486217
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628
US10022354, Example 46
CID 121279427

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide (CID 167750295) is 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide is Cn1cc(CC(=O)Nc2cn[nH]c2C2CCNC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The InChIKey is JUCJBNOMJKRYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23-11-13(14-4-2-3-5-16(14)23)8-17(24)21-15-10-20-22-18(15)12-6-7-19-9-12/h2-5,10-12,19H,6-9H2,1H3,(H,20,22)(H,21,24).
What are the key properties of 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 167750295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).