2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide

C24H26N10O — CID 168885283

IUPAC2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide
SMILESCc1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C24H26N10O/c1-15-10-16(6-7-17(15)11-25-23(35)22-29-31-34(30-22)24(2,3)4)21-20-8-9-26-33(20)14-19(28-21)18-12-27-32(5)13-18/h6-10,12-14H,11H2,1-5H3,(H,25,35)
InChIKeyIHCUVVMCKATAQC-UHFFFAOYSA-N
MW470.54 g/mol
LogP2.78
Rot. Bonds5

About 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide

2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide (PubChem CID 168885283) has the molecular formula C24H26N10O and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide
PubChem CID168885283
Molecular FormulaC24H26N10O
Molecular Weight470.54 g/mol
Exact Mass470.23
IUPAC Name2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide
SMILESCc1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C24H26N10O/c1-15-10-16(6-7-17(15)11-25-23(35)22-29-31-34(30-22)24(2,3)4)21-20-8-9-26-33(20)14-19(28-21)18-12-27-32(5)13-18/h6-10,12-14H,11H2,1-5H3,(H,25,35)
InChIKeyIHCUVVMCKATAQC-UHFFFAOYSA-N
XLogP2.78
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide
CID 168885131
5-(1-methylcyclopropyl)-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 168885168
[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
CID 168885126
5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 168885296
3-tert-butylimino-2-hydrazinylidene-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]propanamide
CID 174067421
1-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 168885315
N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide
CID 168885070
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
1-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]piperazin-2-one;hydrochloride
CID 168885086
1-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrazole-4-carboxamide
CID 118139627
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazole-1-carbonitrile
CID 130380690
3-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 123538553

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide (CID 168885283) is 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide is Cc1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)ccc1CNC(=O)c1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide?
The InChIKey is IHCUVVMCKATAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N10O/c1-15-10-16(6-7-17(15)11-25-23(35)22-29-31-34(30-22)24(2,3)4)21-20-8-9-26-33(20)14-19(28-21)18-12-27-32(5)13-18/h6-10,12-14H,11H2,1-5H3,(H,25,35).
What are the key properties of 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide?
2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[2-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]tetrazole-5-carboxamide is sourced from PubChem (CID 168885283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).