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

C35H34Br2F6N14O2 — CID 162089998

About 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

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 (PubChem CID 162089998) has the molecular formula C35H34Br2F6N14O2 and a molecular weight of 956.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162089998
• Molecular Formula: C35H34Br2F6N14O2
• Molecular Weight: 956.55 g/mol
• Exact Mass: 954.13
• IUPAC Name: 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
• SMILES: Brc1cncc2[nH]ncc12.CC(C)(C)OC(=O)Nc1cncc2c1cnn2CC(F)F.FC(F)Cn1ncc2c(Br)cncc21.Nc1cncc2c1cnn2CC(F)F
• InChI: InChI=1S/C13H16F2N4O2.C8H6BrF2N3.C8H8F2N4.C6H4BrN3/c1-13(2,3)21-12(20)18-9-5-16-6-10-8(9)4-17-19(10)7-11(14)15;9-6-2-12-3-7-5(6)1-13-14(7)4-8(10)11;9-8(10)4-14-7-3-12-2-6(11)5(7)1-13-14;7-5-2-8-3-6-4(5)1-9-10-6/h4-6,11H,7H2,1-3H3,(H,18,20);1-3,8H,4H2;1-3,8H,4,11H2;1-3H,(H,9,10)
• InChIKey: ZDLZDLKLMJUOAT-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 198.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	956.55
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Brc1cncc2[nH]ncc12.CC(C)(C)OC(=O)Nc1cncc2c1cnn2CC(F)F.FC(F)Cn1ncc2c(Br)cncc21.Nc1cncc2c1cnn2CC(F)F.

What is the InChIKey of 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?

The InChIKey is ZDLZDLKLMJUOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O2.C8H6BrF2N3.C8H8F2N4.C6H4BrN3/c1-13(2,3)21-12(20)18-9-5-16-6-10-8(9)4-17-19(10)7-11(14)15;9-6-2-12-3-7-5(6)1-13-14(7)4-8(10)11;9-8(10)4-14-7-3-12-2-6(11)5(7)1-13-14;7-5-2-8-3-6-4(5)1-9-10-6/h4-6,11H,7H2,1-3H3,(H,18,20);1-3,8H,4H2;1-3,8H,4,11H2;1-3H,(H,9,10).

What are the key properties of 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?

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 has a molecular weight of 956.55 g/mol, XLogP of 8.50, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162089998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).