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

C35H40Br2N14O2 — CID 159159297

IUPAC4-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
SMILESBrc1cncc2[nH]ncc12.CCn1ncc2c(Br)cncc21.CCn1ncc2c(N)cncc21.CCn1ncc2c(NC(=O)OC(C)(C)C)cncc21
InChIInChI=1S/C13H18N4O2.C8H8BrN3.C8H10N4.C6H4BrN3/c1-5-17-11-8-14-7-10(9(11)6-15-17)16-12(18)19-13(2,3)4;2*1-2-12-8-5-10-4-7(9)6(8)3-11-12;7-5-2-8-3-6-4(5)1-9-10-6/h6-8H,5H2,1-4H3,(H,16,18);3-5H,2H2,1H3;3-5H,2,9H2,1H3;1-3H,(H,9,10)
InChIKeyKKHHFVNBUWHGHB-UHFFFAOYSA-N
MW848.61 g/mol
LogP7.77
Rot. Bonds4

About 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

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 (PubChem CID 159159297) has the molecular formula C35H40Br2N14O2 and a molecular weight of 848.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159159297
Molecular FormulaC35H40Br2N14O2
Molecular Weight848.61 g/mol
Exact Mass846.18
IUPAC Name4-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
SMILESBrc1cncc2[nH]ncc12.CCn1ncc2c(Br)cncc21.CCn1ncc2c(N)cncc21.CCn1ncc2c(NC(=O)OC(C)(C)C)cncc21
InChIInChI=1S/C13H18N4O2.C8H8BrN3.C8H10N4.C6H4BrN3/c1-5-17-11-8-14-7-10(9(11)6-15-17)16-12(18)19-13(2,3)4;2*1-2-12-8-5-10-4-7(9)6(8)3-11-12;7-5-2-8-3-6-4(5)1-9-10-6/h6-8H,5H2,1-4H3,(H,16,18);3-5H,2H2,1H3;3-5H,2,9H2,1H3;1-3H,(H,9,10)
InChIKeyKKHHFVNBUWHGHB-UHFFFAOYSA-N
XLogP7.77
TPSA198.05 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500848.61
LogP ≤ 57.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

4-bromo-1-(2-methoxyethyl)pyrazolo[3,4-c]pyridine;4-bromo-1H-pyrazolo[3,4-c]pyridine;tert-butyl N-[1-(2-methoxyethyl)pyrazolo[5,4-c]pyridin-4-yl]carbamate;1-(2-methoxyethyl)pyrazolo[5,4-c]pyridin-4-amine
CID 159262836
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
6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine;methane
CID 160219028
6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine
CID 160771411
4-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridine;4-bromo-1H-pyrazolo[3,4-c]pyridine;tert-butyl N-[1-(2,2-difluoroethyl)pyrazolo[5,4-c]pyridin-4-yl]carbamate;1-(2,2-difluoroethyl)pyrazolo[5,4-c]pyridin-4-amine
CID 162089998
3-bromo-1H-pyrrolo[2,3-c]pyridine;tert-butyl 3-bromopyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 3-tributylstannylpyrrolo[2,3-c]pyridine-1-carboxylate;molecular bromine;1H-pyrrolo[2,3-c]pyridine
CID 167628200

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 159159297) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cncc2[nH]ncc12.CCn1ncc2c(Br)cncc21.CCn1ncc2c(N)cncc21.CCn1ncc2c(NC(=O)OC(C)(C)C)cncc21.
What is the InChIKey of 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?
The InChIKey is KKHHFVNBUWHGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.C8H8BrN3.C8H10N4.C6H4BrN3/c1-5-17-11-8-14-7-10(9(11)6-15-17)16-12(18)19-13(2,3)4;2*1-2-12-8-5-10-4-7(9)6(8)3-11-12;7-5-2-8-3-6-4(5)1-9-10-6/h6-8H,5H2,1-4H3,(H,16,18);3-5H,2H2,1H3;3-5H,2,9H2,1H3;1-3H,(H,9,10).
What are the key properties of 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?
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 has a molecular weight of 848.61 g/mol, XLogP of 7.77, 4 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159159297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).