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

C38H46Br2N14O5 — CID 159262836

IUPAC4-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
SMILESBrc1cncc2[nH]ncc12.COCCn1ncc2c(Br)cncc21.COCCn1ncc2c(N)cncc21.COCCn1ncc2c(NC(=O)OC(C)(C)C)cncc21
InChIInChI=1S/C14H20N4O3.C9H10BrN3O.C9H12N4O.C6H4BrN3/c1-14(2,3)21-13(19)17-11-8-15-9-12-10(11)7-16-18(12)5-6-20-4;2*1-14-3-2-13-9-6-11-5-8(10)7(9)4-12-13;7-5-2-8-3-6-4(5)1-9-10-6/h7-9H,5-6H2,1-4H3,(H,17,19);4-6H,2-3H2,1H3;4-6H,2-3,10H2,1H3;1-3H,(H,9,10)
InChIKeyKWSOMCBUAJSILN-UHFFFAOYSA-N
MW938.69 g/mol
LogP6.65
Rot. Bonds10

About 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

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 (PubChem CID 159262836) has the molecular formula C38H46Br2N14O5 and a molecular weight of 938.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159262836
Molecular FormulaC38H46Br2N14O5
Molecular Weight938.69 g/mol
Exact Mass936.21
IUPAC Name4-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
SMILESBrc1cncc2[nH]ncc12.COCCn1ncc2c(Br)cncc21.COCCn1ncc2c(N)cncc21.COCCn1ncc2c(NC(=O)OC(C)(C)C)cncc21
InChIInChI=1S/C14H20N4O3.C9H10BrN3O.C9H12N4O.C6H4BrN3/c1-14(2,3)21-13(19)17-11-8-15-9-12-10(11)7-16-18(12)5-6-20-4;2*1-14-3-2-13-9-6-11-5-8(10)7(9)4-12-13;7-5-2-8-3-6-4(5)1-9-10-6/h7-9H,5-6H2,1-4H3,(H,17,19);4-6H,2-3H2,1H3;4-6H,2-3,10H2,1H3;1-3H,(H,9,10)
InChIKeyKWSOMCBUAJSILN-UHFFFAOYSA-N
XLogP6.65
TPSA225.74 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500938.69
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1cncc2[nH]ncc12.COCCn1ncc2c(Br)cncc21.COCCn1ncc2c(N)cncc21.COCCn1ncc2c(NC(=O)OC(C)(C)C)cncc21.
What is the InChIKey of 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?
The InChIKey is KWSOMCBUAJSILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3.C9H10BrN3O.C9H12N4O.C6H4BrN3/c1-14(2,3)21-13(19)17-11-8-15-9-12-10(11)7-16-18(12)5-6-20-4;2*1-14-3-2-13-9-6-11-5-8(10)7(9)4-12-13;7-5-2-8-3-6-4(5)1-9-10-6/h7-9H,5-6H2,1-4H3,(H,17,19);4-6H,2-3H2,1H3;4-6H,2-3,10H2,1H3;1-3H,(H,9,10).
What are the key properties of 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?
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 has a molecular weight of 938.69 g/mol, XLogP of 6.65, 10 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159262836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).