1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide

C24H20N8O2 — CID 165415366

IUPAC1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide
SMILESCn1cc(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)c(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C24H20N8O2/c1-31-14-18(21(30-31)23(34)26-13-17-9-5-6-11-25-17)22(33)28-20-10-12-32-15-19(27-24(32)29-20)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,26,34)(H,27,28,29,33)
InChIKeyYPHVAFGGWASYCR-UHFFFAOYSA-N
MW452.48 g/mol
LogP2.71
Rot. Bonds6

About 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide

1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide (PubChem CID 165415366) has the molecular formula C24H20N8O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide
PubChem CID165415366
Molecular FormulaC24H20N8O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC Name1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide
SMILESCn1cc(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)c(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C24H20N8O2/c1-31-14-18(21(30-31)23(34)26-13-17-9-5-6-11-25-17)22(33)28-20-10-12-32-15-19(27-24(32)29-20)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,26,34)(H,27,28,29,33)
InChIKeyYPHVAFGGWASYCR-UHFFFAOYSA-N
XLogP2.71
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide?
The IUPAC name of 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide (CID 165415366) is 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide.
What is the SMILES notation for 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide?
The canonical SMILES for 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide is Cn1cc(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)c(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide?
The InChIKey is YPHVAFGGWASYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O2/c1-31-14-18(21(30-31)23(34)26-13-17-9-5-6-11-25-17)22(33)28-20-10-12-32-15-19(27-24(32)29-20)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,26,34)(H,27,28,29,33).
What are the key properties of 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide?
1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide has a molecular weight of 452.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-3-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide is sourced from PubChem (CID 165415366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).