tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate

C23H24N6O3 — CID 170239168

IUPACtert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate
SMILESCC(=O)c1cnn2ccc(-c3cc(NC(=O)OC(C)(C)C)nn3-c3cccc(C)n3)cc12
InChIInChI=1S/C23H24N6O3/c1-14-7-6-8-21(25-14)29-18(12-20(27-29)26-22(31)32-23(3,4)5)16-9-10-28-19(11-16)17(13-24-28)15(2)30/h6-13H,1-5H3,(H,26,27,31)
InChIKeyHWWOPTWJJBRPRZ-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.44
Rot. Bonds4

About tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate

tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate (PubChem CID 170239168) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate
PubChem CID170239168
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Nametert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate
SMILESCC(=O)c1cnn2ccc(-c3cc(NC(=O)OC(C)(C)C)nn3-c3cccc(C)n3)cc12
InChIInChI=1S/C23H24N6O3/c1-14-7-6-8-21(25-14)29-18(12-20(27-29)26-22(31)32-23(3,4)5)16-9-10-28-19(11-16)17(13-24-28)15(2)30/h6-13H,1-5H3,(H,26,27,31)
InChIKeyHWWOPTWJJBRPRZ-UHFFFAOYSA-N
XLogP4.44
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[3-[(4-bromophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 170074489
5-[3-[(5-chloro-2-fluorophenyl)methylamino]-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 170075358
tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate
CID 90175973
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
tert-butyl N-[5-(3-fluoro-4-isocyanophenyl)-1-(3-iodophenyl)pyrazol-3-yl]carbamate
CID 176613858
tert-butyl N-[6-[4-[[5-chloro-6-(4-methyltriazol-2-yl)-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamate
CID 135137181
N-(4-cyanophenyl)-1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 138595183
tert-butyl N-(4-acetylquinolin-2-yl)carbamate
CID 118689136
tert-butyl N-[1-(4-aminoperoxysulfanylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]carbamate
CID 58833200
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656041
tert-butyl N-(5-acetyl-2-methyl-4-pyridinyl)carbamate
CID 130756012

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate (CID 170239168) is tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate is CC(=O)c1cnn2ccc(-c3cc(NC(=O)OC(C)(C)C)nn3-c3cccc(C)n3)cc12.
What is the InChIKey of tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate?
The InChIKey is HWWOPTWJJBRPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-14-7-6-8-21(25-14)29-18(12-20(27-29)26-22(31)32-23(3,4)5)16-9-10-28-19(11-16)17(13-24-28)15(2)30/h6-13H,1-5H3,(H,26,27,31).
What are the key properties of tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate?
tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate has a molecular weight of 432.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]carbamate is sourced from PubChem (CID 170239168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).