N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide

C24H24N10O — CID 90645511

IUPACN-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2cc(-c3ccc(-n4ccnc4)nc3)nn2)n(-c2cccnc2)n1
InChIInChI=1S/C24H24N10O/c1-24(2,3)20-11-22(34(30-20)18-5-4-8-25-13-18)28-23(35)15-33-14-19(29-31-33)17-6-7-21(27-12-17)32-10-9-26-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)
InChIKeyZKPYYDAYCYGVLR-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.04
Rot. Bonds6

About N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide

N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide (PubChem CID 90645511) has the molecular formula C24H24N10O and a molecular weight of 468.53 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide
PubChem CID90645511
Molecular FormulaC24H24N10O
Molecular Weight468.53 g/mol
Exact Mass468.21
IUPAC NameN-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cn2cc(-c3ccc(-n4ccnc4)nc3)nn2)n(-c2cccnc2)n1
InChIInChI=1S/C24H24N10O/c1-24(2,3)20-11-22(34(30-20)18-5-4-8-25-13-18)28-23(35)15-33-14-19(29-31-33)17-6-7-21(27-12-17)32-10-9-26-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)
InChIKeyZKPYYDAYCYGVLR-UHFFFAOYSA-N
XLogP3.04
TPSA121.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 35861203
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-pyridin-3-ylphenyl)urea
CID 71695585
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 56531384
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16613947
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46483979
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide
CID 112801690
N-(6-imidazol-1-yl-3-pyridinyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 39567828
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-methoxyacetamide
CID 42732681
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide (CID 90645511) is N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide is CC(C)(C)c1cc(NC(=O)Cn2cc(-c3ccc(-n4ccnc4)nc3)nn2)n(-c2cccnc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide?
The InChIKey is ZKPYYDAYCYGVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O/c1-24(2,3)20-11-22(34(30-20)18-5-4-8-25-13-18)28-23(35)15-33-14-19(29-31-33)17-6-7-21(27-12-17)32-10-9-26-16-32/h4-14,16H,15H2,1-3H3,(H,28,35).
What are the key properties of N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide?
N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide has a molecular weight of 468.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-2-[4-(6-imidazol-1-yl-3-pyridinyl)triazol-1-yl]acetamide is sourced from PubChem (CID 90645511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).