1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide

C20H17N11O2 — CID 53469437

IUPAC1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NCc2nn[nH]n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H17N11O2/c1-30-17(13(9-22-30)18(32)21-10-16-26-28-29-27-16)19(33)24-15-7-8-31-11-14(23-20(31)25-15)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,21,32)(H,23,24,25,33)(H,26,27,28,29)
InChIKeyHYHNAALUBIENQY-UHFFFAOYSA-N
MW443.43 g/mol
LogP0.83
Rot. Bonds6

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

1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide (PubChem CID 53469437) has the molecular formula C20H17N11O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide
PubChem CID53469437
Molecular FormulaC20H17N11O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide
SMILESCn1ncc(C(=O)NCc2nn[nH]n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H17N11O2/c1-30-17(13(9-22-30)18(32)21-10-16-26-28-29-27-16)19(33)24-15-7-8-31-11-14(23-20(31)25-15)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,21,32)(H,23,24,25,33)(H,26,27,28,29)
InChIKeyHYHNAALUBIENQY-UHFFFAOYSA-N
XLogP0.83
TPSA160.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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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-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide?
The IUPAC name of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide (CID 53469437) is 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide?
The canonical SMILES for 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide is Cn1ncc(C(=O)NCc2nn[nH]n2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide?
The InChIKey is HYHNAALUBIENQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N11O2/c1-30-17(13(9-22-30)18(32)21-10-16-26-28-29-27-16)19(33)24-15-7-8-31-11-14(23-20(31)25-15)12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,21,32)(H,23,24,25,33)(H,26,27,28,29).
What are the key properties of 1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide?
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide has a molecular weight of 443.43 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 10 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-(2H-tetrazol-5-ylmethyl)pyrazole-4,5-dicarboxamide is sourced from PubChem (CID 53469437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).