1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide

C24H21N9O2 — CID 67388016

IUPAC1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
SMILESCn1cc2c(n1)CN(C(=O)c1cnn(C)c1C(=O)Nc1ccn3cc(-c4ccccc4)nc3n1)C2
InChIInChI=1S/C24H21N9O2/c1-30-11-16-12-33(14-19(16)29-30)23(35)17-10-25-31(2)21(17)22(34)27-20-8-9-32-13-18(26-24(32)28-20)15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,26,27,28,34)
InChIKeyNWWJBLCGYLVZSC-UHFFFAOYSA-N
MW467.49 g/mol
LogP2.27
Rot. Bonds4

About 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide

1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide (PubChem CID 67388016) has the molecular formula C24H21N9O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
PubChem CID67388016
Molecular FormulaC24H21N9O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC Name1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
SMILESCn1cc2c(n1)CN(C(=O)c1cnn(C)c1C(=O)Nc1ccn3cc(-c4ccccc4)nc3n1)C2
InChIInChI=1S/C24H21N9O2/c1-30-11-16-12-33(14-19(16)29-30)23(35)17-10-25-31(2)21(17)22(34)27-20-8-9-32-13-18(26-24(32)28-20)15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,26,27,28,34)
InChIKeyNWWJBLCGYLVZSC-UHFFFAOYSA-N
XLogP2.27
TPSA115.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide (CID 67388016) is 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide is Cn1cc2c(n1)CN(C(=O)c1cnn(C)c1C(=O)Nc1ccn3cc(-c4ccccc4)nc3n1)C2.
What is the InChIKey of 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The InChIKey is NWWJBLCGYLVZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N9O2/c1-30-11-16-12-33(14-19(16)29-30)23(35)17-10-25-31(2)21(17)22(34)27-20-8-9-32-13-18(26-24(32)28-20)15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3,(H,26,27,28,34).
What are the key properties of 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide has a molecular weight of 467.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 67388016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).