3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one

C24H22N6O — CID 155521102

IUPAC3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
SMILESCc1ncc(-c2ccn3ncc(-c4ccc5c(c4)C(C)(CC4CC4)C(=O)N5)c3n2)cn1
InChIInChI=1S/C24H22N6O/c1-14-25-11-17(12-26-14)20-7-8-30-22(28-20)18(13-27-30)16-5-6-21-19(9-16)24(2,23(31)29-21)10-15-3-4-15/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,29,31)
InChIKeyBWZJQTMIXIJENC-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.17
Rot. Bonds4

About 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one

3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one (PubChem CID 155521102) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
PubChem CID155521102
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
SMILESCc1ncc(-c2ccn3ncc(-c4ccc5c(c4)C(C)(CC4CC4)C(=O)N5)c3n2)cn1
InChIInChI=1S/C24H22N6O/c1-14-25-11-17(12-26-14)20-7-8-30-22(28-20)18(13-27-30)16-5-6-21-19(9-16)24(2,23(31)29-21)10-15-3-4-15/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,29,31)
InChIKeyBWZJQTMIXIJENC-UHFFFAOYSA-N
XLogP4.17
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one 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-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one?
The IUPAC name of 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one (CID 155521102) is 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one is Cc1ncc(-c2ccn3ncc(-c4ccc5c(c4)C(C)(CC4CC4)C(=O)N5)c3n2)cn1.
What is the InChIKey of 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one?
The InChIKey is BWZJQTMIXIJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-14-25-11-17(12-26-14)20-7-8-30-22(28-20)18(13-27-30)16-5-6-21-19(9-16)24(2,23(31)29-21)10-15-3-4-15/h5-9,11-13,15H,3-4,10H2,1-2H3,(H,29,31).
What are the key properties of 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one?
3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one has a molecular weight of 410.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one is sourced from PubChem (CID 155521102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).