4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide

C25H22N8O2 — CID 67391935

IUPAC4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C25H22N8O2/c1-31(15-18-10-6-7-12-26-18)24(35)19-14-27-32(2)22(19)23(34)29-21-11-13-33-16-20(28-25(33)30-21)17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,28,29,30,34)
InChIKeyNULJQZCWRCPXIO-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.05
Rot. Bonds6

About 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide

4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide (PubChem CID 67391935) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide
PubChem CID67391935
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC Name4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide
SMILESCN(Cc1ccccn1)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C25H22N8O2/c1-31(15-18-10-6-7-12-26-18)24(35)19-14-27-32(2)22(19)23(34)29-21-11-13-33-16-20(28-25(33)30-21)17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,28,29,30,34)
InChIKeyNULJQZCWRCPXIO-UHFFFAOYSA-N
XLogP3.05
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide (CID 67391935) is 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide is CN(Cc1ccccn1)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide?
The InChIKey is NULJQZCWRCPXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2/c1-31(15-18-10-6-7-12-26-18)24(35)19-14-27-32(2)22(19)23(34)29-21-11-13-33-16-20(28-25(33)30-21)17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,28,29,30,34).
What are the key properties of 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide?
4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide has a molecular weight of 466.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 67391935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).