7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C17H14ClN5O2 — CID 172615601

IUPAC7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3Cc4cccc(Cl)c4C3)ccnc12
InChIInChI=1S/C17H14ClN5O2/c18-13-3-1-2-9-6-10(7-11(9)13)22-17(25)14-4-5-20-16-12(15(19)24)8-21-23(14)16/h1-5,8,10H,6-7H2,(H2,19,24)(H,22,25)
InChIKeySAPWJISWURCMII-UHFFFAOYSA-N
MW355.79 g/mol
LogP1.38
Rot. Bonds3

About 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615601) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID172615601
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESNC(=O)c1cnn2c(C(=O)NC3Cc4cccc(Cl)c4C3)ccnc12
InChIInChI=1S/C17H14ClN5O2/c18-13-3-1-2-9-6-10(7-11(9)13)22-17(25)14-4-5-20-16-12(15(19)24)8-21-23(14)16/h1-5,8,10H,6-7H2,(H2,19,24)(H,22,25)
InChIKeySAPWJISWURCMII-UHFFFAOYSA-N
XLogP1.38
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615601) is 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1cnn2c(C(=O)NC3Cc4cccc(Cl)c4C3)ccnc12.
What is the InChIKey of 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is SAPWJISWURCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c18-13-3-1-2-9-6-10(7-11(9)13)22-17(25)14-4-5-20-16-12(15(19)24)8-21-23(14)16/h1-5,8,10H,6-7H2,(H2,19,24)(H,22,25).
What are the key properties of 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 355.79 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4-chloro-2,3-dihydro-1H-inden-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).