7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C20H22N6O2 — CID 172615187

IUPAC7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCN(C)Cc1nn2c(C(=O)NC3Cc4ccccc4C3)ccnc2c1C(N)=O
InChIInChI=1S/C20H22N6O2/c1-25(2)11-15-17(18(21)27)19-22-8-7-16(26(19)24-15)20(28)23-14-9-12-5-3-4-6-13(12)10-14/h3-8,14H,9-11H2,1-2H3,(H2,21,27)(H,23,28)
InChIKeyNXAKUEXOFBNNOZ-UHFFFAOYSA-N
MW378.44 g/mol
LogP0.79
Rot. Bonds5

About 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615187) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615187
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCN(C)Cc1nn2c(C(=O)NC3Cc4ccccc4C3)ccnc2c1C(N)=O
InChIInChI=1S/C20H22N6O2/c1-25(2)11-15-17(18(21)27)19-22-8-7-16(26(19)24-15)20(28)23-14-9-12-5-3-4-6-13(12)10-14/h3-8,14H,9-11H2,1-2H3,(H2,21,27)(H,23,28)
InChIKeyNXAKUEXOFBNNOZ-UHFFFAOYSA-N
XLogP0.79
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615456
7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615362
7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615494
7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615614
7-N-[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615556
7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615601
3-cyano-N-(2,3-dihydro-1H-inden-2-yl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-7-carbothioamide
CID 172615385
7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615593
ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 172615357
4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
CID 107843308
ethyl 7-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 172615550
3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 119060969

Frequently Asked Questions

What is the IUPAC name of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615187) is 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CN(C)Cc1nn2c(C(=O)NC3Cc4ccccc4C3)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is NXAKUEXOFBNNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25(2)11-15-17(18(21)27)19-22-8-7-16(26(19)24-15)20(28)23-14-9-12-5-3-4-6-13(12)10-14/h3-8,14H,9-11H2,1-2H3,(H2,21,27)(H,23,28).
What are the key properties of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 378.44 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).