5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate

C39H50Br3N9O4 — CID 159503215

IUPAC5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate
SMILESCCc1nn2ccc(Br)cc2c1N(C)C(=O)OC(C)(C)C.CCc1nn2ccc(Br)cc2c1NC.CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20BrN3O2.C14H18BrN3O2.C10H12BrN3/c1-6-11-13(18(5)14(20)21-15(2,3)4)12-9-10(16)7-8-19(12)17-11;1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10;1-3-8-10(12-2)9-6-7(11)4-5-14(9)13-8/h7-9H,6H2,1-5H3;6-8H,5H2,1-4H3,(H,16,19);4-6,12H,3H2,1-2H3
InChIKeyLZQPQWGAZSAPHK-UHFFFAOYSA-N
MW948.60 g/mol
LogP10.74
Rot. Bonds6

About 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate

5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate (PubChem CID 159503215) has the molecular formula C39H50Br3N9O4 and a molecular weight of 948.60 g/mol. Its IUPAC name is 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Name5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate
PubChem CID159503215
Molecular FormulaC39H50Br3N9O4
Molecular Weight948.60 g/mol
Exact Mass945.15
IUPAC Name5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate
SMILESCCc1nn2ccc(Br)cc2c1N(C)C(=O)OC(C)(C)C.CCc1nn2ccc(Br)cc2c1NC.CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H20BrN3O2.C14H18BrN3O2.C10H12BrN3/c1-6-11-13(18(5)14(20)21-15(2,3)4)12-9-10(16)7-8-19(12)17-11;1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10;1-3-8-10(12-2)9-6-7(11)4-5-14(9)13-8/h7-9H,6H2,1-5H3;6-8H,5H2,1-4H3,(H,16,19);4-6,12H,3H2,1-2H3
InChIKeyLZQPQWGAZSAPHK-UHFFFAOYSA-N
XLogP10.74
TPSA131.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.60
LogP ≤ 510.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

Tert-butyl 4-(6-bromopyrrolo[1,2-B]pyridazin-4-YL)piperazine-1-carboxylate
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tert-butyl N-[[(3R)-1-[5-[5-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-3-yl]-3-pyridinyl]pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 146267804
(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)carbamic acid;propan-2-yl N-tert-butyl-N-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate
CID 156213115
tert-butyl N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)carbamate;propan-2-yl N-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate
CID 156213118
tert-butyl N-[(1S)-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-5-yl)ethyl]carbamate;tert-butyl N-[(1R)-1-(6-bromo-1-methylpyrrolo[3,2-b]pyridin-5-yl)ethyl]carbamate
CID 157189974
Tert-butyl 4-(6-bromopyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157805405
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CID 157905496
bromomethylcyclopropane;tert-butyl N-(cyclopropylmethyl)-N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate
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4-bromo-1-ethylpyrazolo[3,4-c]pyridine;4-bromo-1H-pyrazolo[3,4-c]pyridine;tert-butyl N-(1-ethylpyrazolo[5,4-c]pyridin-4-yl)carbamate;1-ethylpyrazolo[5,4-c]pyridin-4-amine
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Tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate;4-piperazin-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine
CID 159450961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate?
The IUPAC name of 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate (CID 159503215) is 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate.
What is the SMILES notation for 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate?
The canonical SMILES for 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate is CCc1nn2ccc(Br)cc2c1N(C)C(=O)OC(C)(C)C.CCc1nn2ccc(Br)cc2c1NC.CCc1nn2ccc(Br)cc2c1NC(=O)OC(C)(C)C.
What is the InChIKey of 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate?
The InChIKey is LZQPQWGAZSAPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.C14H18BrN3O2.C10H12BrN3/c1-6-11-13(18(5)14(20)21-15(2,3)4)12-9-10(16)7-8-19(12)17-11;1-5-10-12(16-13(19)20-14(2,3)4)11-8-9(15)6-7-18(11)17-10;1-3-8-10(12-2)9-6-7(11)4-5-14(9)13-8/h7-9H,6H2,1-5H3;6-8H,5H2,1-4H3,(H,16,19);4-6,12H,3H2,1-2H3.
What are the key properties of 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate?
5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate has a molecular weight of 948.60 g/mol, XLogP of 10.74, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-N-methylpyrazolo[1,5-a]pyridin-3-amine;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)carbamate;tert-butyl N-(5-bromo-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-methylcarbamate is sourced from PubChem (CID 159503215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).