1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate

C32H33BrN8O5 — CID 158149855

IUPAC1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate
SMILESCC(=O)c1cnn2ccc(Br)cc12.CC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C14H17N3O3.C9H7BrN2O.C9H9N3O/c1-9(18)11-8-15-17-6-5-10(7-12(11)17)16-13(19)20-14(2,3)4;2*1-6(13)8-5-11-12-3-2-7(10)4-9(8)12/h5-8H,1-4H3,(H,16,19);2-5H,1H3;2-5H,10H2,1H3
InChIKeyFUYWIDLKVJTCGY-UHFFFAOYSA-N
MW689.57 g/mol
LogP6.30
Rot. Bonds4

About 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate

1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate (PubChem CID 158149855) has the molecular formula C32H33BrN8O5 and a molecular weight of 689.57 g/mol. Its IUPAC name is 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate.

Molecular Properties

Compound Name1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate
PubChem CID158149855
Molecular FormulaC32H33BrN8O5
Molecular Weight689.57 g/mol
Exact Mass688.18
IUPAC Name1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate
SMILESCC(=O)c1cnn2ccc(Br)cc12.CC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C14H17N3O3.C9H7BrN2O.C9H9N3O/c1-9(18)11-8-15-17-6-5-10(7-12(11)17)16-13(19)20-14(2,3)4;2*1-6(13)8-5-11-12-3-2-7(10)4-9(8)12/h5-8H,1-4H3,(H,16,19);2-5H,1H3;2-5H,10H2,1H3
InChIKeyFUYWIDLKVJTCGY-UHFFFAOYSA-N
XLogP6.30
TPSA167.46 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500689.57
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate with MolForge

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Related Compounds

tert-butyl N-[(7R)-2-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
CID 156829068
tert-butyl N-[(3R,5R)-1-[2-[6-bromo-1-(cyclopropylmethyl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
CID 156829876
2,2,2-trifluoro-N-[1-oxo-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]acetamide;2,2,2-trifluoro-N-[(2R)-1-oxo-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]acetamide;2,2,2-trifluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]acetamide
CID 158799662
tert-butyl (3R,4R)-4-[(5-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-fluoropiperidine-1-carboxylate
CID 168214623
(3-Acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 68728437
(3-Acetylpyrazolo[1,5-a]pyridin-5-yl)carbamic acid;1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 68728674
(E)-1-(5-bromo-3-pyridinyl)-3-(1-methylpyrazol-3-yl)prop-2-en-1-one;[4-(5-bromo-3-pyridinyl)-6-(1-methylpyrazol-3-yl)-2-pyridinyl]methanamine
CID 68760111
Tert-butyl 4-[[4-(5-bromo-3-pyridinyl)-7-ethylpyrrolo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 91528272
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 146877976
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 147701150
N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 148334659
N-[2-(2,2-dimethylpiperidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 149178905

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate?
The IUPAC name of 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate (CID 158149855) is 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate.
What is the SMILES notation for 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate?
The canonical SMILES for 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate is CC(=O)c1cnn2ccc(Br)cc12.CC(=O)c1cnn2ccc(N)cc12.CC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate?
The InChIKey is FUYWIDLKVJTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.C9H7BrN2O.C9H9N3O/c1-9(18)11-8-15-17-6-5-10(7-12(11)17)16-13(19)20-14(2,3)4;2*1-6(13)8-5-11-12-3-2-7(10)4-9(8)12/h5-8H,1-4H3,(H,16,19);2-5H,1H3;2-5H,10H2,1H3.
What are the key properties of 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate?
1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate has a molecular weight of 689.57 g/mol, XLogP of 6.30, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopyrazolo[1,5-a]pyridin-3-yl)ethanone;1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethanone;tert-butyl N-(3-acetylpyrazolo[1,5-a]pyridin-5-yl)carbamate is sourced from PubChem (CID 158149855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).