[4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

C22H18N8O — CID 19975968

IUPAC[4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCc1cc(N(C)c2ccc(C(=O)c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C22H18N8O/c1-14-13-20(30-19(24-14)11-12-23-30)29(2)16-9-7-15(8-10-16)21(31)17-5-3-4-6-18(17)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28)
InChIKeyBOUVKICZUCPCSE-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.22
Rot. Bonds5

About [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

[4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 19975968) has the molecular formula C22H18N8O and a molecular weight of 410.44 g/mol. Its IUPAC name is [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID19975968
Molecular FormulaC22H18N8O
Molecular Weight410.44 g/mol
Exact Mass410.16
IUPAC Name[4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCc1cc(N(C)c2ccc(C(=O)c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1
InChIInChI=1S/C22H18N8O/c1-14-13-20(30-19(24-14)11-12-23-30)29(2)16-9-7-15(8-10-16)21(31)17-5-3-4-6-18(17)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28)
InChIKeyBOUVKICZUCPCSE-UHFFFAOYSA-N
XLogP3.22
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 137348686
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1-[4-[(1,3-Dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 19975968) is [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is Cc1cc(N(C)c2ccc(C(=O)c3ccccc3-c3nn[nH]n3)cc2)n2nccc2n1.
What is the InChIKey of [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is BOUVKICZUCPCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O/c1-14-13-20(30-19(24-14)11-12-23-30)29(2)16-9-7-15(8-10-16)21(31)17-5-3-4-6-18(17)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28).
What are the key properties of [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
[4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 410.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 19975968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).