3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide

C26H30N6O — CID 60618201

IUPAC3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1ccc2[nH]ccc2c1)C(C)CC(C)C
InChIInChI=1S/C26H30N6O/c1-16(2)12-17(3)31(22-6-8-24-20(13-22)10-11-28-24)25(33)9-7-23-18(4)30-26-21(14-27)15-29-32(26)19(23)5/h6,8,10-11,13,15-17,28H,7,9,12H2,1-5H3
InChIKeyKWYWXHQQKOYXCP-UHFFFAOYSA-N
MW442.57 g/mol
LogP5.10
Rot. Bonds7

About 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide (PubChem CID 60618201) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide
PubChem CID60618201
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1ccc2[nH]ccc2c1)C(C)CC(C)C
InChIInChI=1S/C26H30N6O/c1-16(2)12-17(3)31(22-6-8-24-20(13-22)10-11-28-24)25(33)9-7-23-18(4)30-26-21(14-27)15-29-32(26)19(23)5/h6,8,10-11,13,15-17,28H,7,9,12H2,1-5H3
InChIKeyKWYWXHQQKOYXCP-UHFFFAOYSA-N
XLogP5.10
TPSA90.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide (CID 60618201) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide is Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(c1ccc2[nH]ccc2c1)C(C)CC(C)C.
What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide?
The InChIKey is KWYWXHQQKOYXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-16(2)12-17(3)31(22-6-8-24-20(13-22)10-11-28-24)25(33)9-7-23-18(4)30-26-21(14-27)15-29-32(26)19(23)5/h6,8,10-11,13,15-17,28H,7,9,12H2,1-5H3.
What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide?
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide has a molecular weight of 442.57 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 60618201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).