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

C24H25N9O — CID 168885131

IUPAC2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide
SMILESCn1cc(-c2cn3nccc3c(-c3ccc(CNC(=O)c4cnn(C(C)(C)C)n4)cc3)n2)cn1
InChIInChI=1S/C24H25N9O/c1-24(2,3)33-28-13-19(30-33)23(34)25-11-16-5-7-17(8-6-16)22-21-9-10-26-32(21)15-20(29-22)18-12-27-31(4)14-18/h5-10,12-15H,11H2,1-4H3,(H,25,34)
InChIKeyINZKCEKBKKNAJU-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.07
Rot. Bonds5

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

2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide (PubChem CID 168885131) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide
PubChem CID168885131
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide
SMILESCn1cc(-c2cn3nccc3c(-c3ccc(CNC(=O)c4cnn(C(C)(C)C)n4)cc3)n2)cn1
InChIInChI=1S/C24H25N9O/c1-24(2,3)33-28-13-19(30-33)23(34)25-11-16-5-7-17(8-6-16)22-21-9-10-26-32(21)15-20(29-22)18-12-27-31(4)14-18/h5-10,12-15H,11H2,1-4H3,(H,25,34)
InChIKeyINZKCEKBKKNAJU-UHFFFAOYSA-N
XLogP3.07
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-phenyltriazole-4-carboxamide
CID 122245887
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
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazole-1-carbonitrile
CID 130380690
tert-butyl N-[[2-methyl-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]carbamate
CID 168885330
4-[1-(3-methoxycyclobutyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 146499039
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373
[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methanamine;dihydrochloride
CID 168885126
5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride
CID 168885281
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide (CID 168885131) is 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide is Cn1cc(-c2cn3nccc3c(-c3ccc(CNC(=O)c4cnn(C(C)(C)C)n4)cc3)n2)cn1.
What is the InChIKey of 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide?
The InChIKey is INZKCEKBKKNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-24(2,3)33-28-13-19(30-33)23(34)25-11-16-5-7-17(8-6-16)22-21-9-10-26-32(21)15-20(29-22)18-12-27-31(4)14-18/h5-10,12-15H,11H2,1-4H3,(H,25,34).
What are the key properties of 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide?
2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 168885131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).