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

C21H25N7O2 — CID 172615456

IUPAC7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCN(C)CCNc1nn2c(C(=O)NC3Cc4ccccc4C3)ccnc2c1C(N)=O
InChIInChI=1S/C21H25N7O2/c1-27(2)10-9-23-19-17(18(22)29)20-24-8-7-16(28(20)26-19)21(30)25-15-11-13-5-3-4-6-14(13)12-15/h3-8,15H,9-12H2,1-2H3,(H2,22,29)(H,23,26)(H,25,30)
InChIKeyRLLBRYVHULSGOV-UHFFFAOYSA-N
MW407.48 g/mol
LogP0.70
Rot. Bonds7

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

7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615456) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615456
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCN(C)CCNc1nn2c(C(=O)NC3Cc4ccccc4C3)ccnc2c1C(N)=O
InChIInChI=1S/C21H25N7O2/c1-27(2)10-9-23-19-17(18(22)29)20-24-8-7-16(28(20)26-19)21(30)25-15-11-13-5-3-4-6-14(13)12-15/h3-8,15H,9-12H2,1-2H3,(H2,22,29)(H,23,26)(H,25,30)
InChIKeyRLLBRYVHULSGOV-UHFFFAOYSA-N
XLogP0.70
TPSA117.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-N-(2,3-dihydro-1H-inden-2-yl)-2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615187
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-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615614
7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615494
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
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
N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 161114883
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
CID 62977992

Frequently Asked Questions

What is the IUPAC name of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615456) is 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is CN(C)CCNc1nn2c(C(=O)NC3Cc4ccccc4C3)ccnc2c1C(N)=O.
What is the InChIKey of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is RLLBRYVHULSGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-27(2)10-9-23-19-17(18(22)29)20-24-8-7-16(28(20)26-19)21(30)25-15-11-13-5-3-4-6-14(13)12-15/h3-8,15H,9-12H2,1-2H3,(H2,22,29)(H,23,26)(H,25,30).
What are the key properties of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 407.48 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).