4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

C26H24N8O3 — CID 53466716

IUPAC4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCc1oc(C2CC2)nc1CNC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C26H24N8O3/c1-15-19(29-25(37-15)17-8-9-17)13-27-23(35)18-12-28-33(2)22(18)24(36)31-21-10-11-34-14-20(30-26(34)32-21)16-6-4-3-5-7-16/h3-7,10-12,14,17H,8-9,13H2,1-2H3,(H,27,35)(H,30,31,32,36)
InChIKeyUQVOZSXDJDIORD-UHFFFAOYSA-N
MW496.53 g/mol
LogP3.49
Rot. Bonds7

About 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide

4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (PubChem CID 53466716) has the molecular formula C26H24N8O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
PubChem CID53466716
Molecular FormulaC26H24N8O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC Name4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
SMILESCc1oc(C2CC2)nc1CNC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C26H24N8O3/c1-15-19(29-25(37-15)17-8-9-17)13-27-23(35)18-12-28-33(2)22(18)24(36)31-21-10-11-34-14-20(30-26(34)32-21)16-6-4-3-5-7-16/h3-7,10-12,14,17H,8-9,13H2,1-2H3,(H,27,35)(H,30,31,32,36)
InChIKeyUQVOZSXDJDIORD-UHFFFAOYSA-N
XLogP3.49
TPSA132.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide (CID 53466716) is 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is Cc1oc(C2CC2)nc1CNC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
The InChIKey is UQVOZSXDJDIORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3/c1-15-19(29-25(37-15)17-8-9-17)13-27-23(35)18-12-28-33(2)22(18)24(36)31-21-10-11-34-14-20(30-26(34)32-21)16-6-4-3-5-7-16/h3-7,10-12,14,17H,8-9,13H2,1-2H3,(H,27,35)(H,30,31,32,36).
What are the key properties of 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide?
4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide has a molecular weight of 496.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-cyclopropyl-5-methyl-1,3-oxazol-4-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 53466716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).