7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C20H16N6O2 — CID 126804129

IUPAC7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)c1ccnc2c(C(N)=O)cnn12
InChIInChI=1S/C20H16N6O2/c1-12-2-3-14(13-4-7-22-8-5-13)10-16(12)25-20(28)17-6-9-23-19-15(18(21)27)11-24-26(17)19/h2-11H,1H3,(H2,21,27)(H,25,28)
InChIKeyPOJGQDVAGSKUKU-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.45
Rot. Bonds4

About 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 126804129) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

Compound Name7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
PubChem CID126804129
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)c1ccnc2c(C(N)=O)cnn12
InChIInChI=1S/C20H16N6O2/c1-12-2-3-14(13-4-7-22-8-5-13)10-16(12)25-20(28)17-6-9-23-19-15(18(21)27)11-24-26(17)19/h2-11H,1H3,(H2,21,27)(H,25,28)
InChIKeyPOJGQDVAGSKUKU-UHFFFAOYSA-N
XLogP2.45
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The IUPAC name of 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 126804129) is 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.
What is the SMILES notation for 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The canonical SMILES for 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccnc2c(C(N)=O)cnn12.
What is the InChIKey of 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
The InChIKey is POJGQDVAGSKUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-12-2-3-14(13-4-7-22-8-5-13)10-16(12)25-20(28)17-6-9-23-19-15(18(21)27)11-24-26(17)19/h2-11H,1H3,(H2,21,27)(H,25,28).
What are the key properties of 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?
7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2-methyl-5-pyridin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 126804129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).