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

C25H25N9O2 — CID 67388460

IUPAC1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide
SMILESCCCn1ccc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n1
InChIInChI=1S/C25H25N9O2/c1-3-11-34-13-9-18(31-34)14-26-23(35)19-15-27-32(2)22(19)24(36)29-21-10-12-33-16-20(28-25(33)30-21)17-7-5-4-6-8-17/h4-10,12-13,15-16H,3,11,14H2,1-2H3,(H,26,35)(H,28,29,30,36)
InChIKeySTYMFBYWTSSTCF-UHFFFAOYSA-N
MW483.54 g/mol
LogP2.92
Rot. Bonds8

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

1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide (PubChem CID 67388460) has the molecular formula C25H25N9O2 and a molecular weight of 483.54 g/mol. Its IUPAC name is 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide
PubChem CID67388460
Molecular FormulaC25H25N9O2
Molecular Weight483.54 g/mol
Exact Mass483.21
IUPAC Name1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide
SMILESCCCn1ccc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n1
InChIInChI=1S/C25H25N9O2/c1-3-11-34-13-9-18(31-34)14-26-23(35)19-15-27-32(2)22(19)24(36)29-21-10-12-33-16-20(28-25(33)30-21)17-7-5-4-6-8-17/h4-10,12-13,15-16H,3,11,14H2,1-2H3,(H,26,35)(H,28,29,30,36)
InChIKeySTYMFBYWTSSTCF-UHFFFAOYSA-N
XLogP2.92
TPSA124.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide?
The IUPAC name of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide (CID 67388460) is 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide is CCCn1ccc(CNC(=O)c2cnn(C)c2C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n1.
What is the InChIKey of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide?
The InChIKey is STYMFBYWTSSTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O2/c1-3-11-34-13-9-18(31-34)14-26-23(35)19-15-27-32(2)22(19)24(36)29-21-10-12-33-16-20(28-25(33)30-21)17-7-5-4-6-8-17/h4-10,12-13,15-16H,3,11,14H2,1-2H3,(H,26,35)(H,28,29,30,36).
What are the key properties of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide?
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide has a molecular weight of 483.54 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 67388460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).