(3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine

C20H18BrN7 — CID 71253736

IUPAC(3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1
InChIInChI=1S/C20H18BrN7/c21-15-3-4-16(25-20(15)28-7-5-13(22)11-28)19-14-8-17(12-2-1-6-23-9-12)24-10-18(14)26-27-19/h1-4,6,8-10,13H,5,7,11,22H2,(H,26,27)/t13-/m1/s1
InChIKeyOJUHXQHKLKXSGG-CYBMUJFWSA-N
MW436.32 g/mol
LogP3.38
Rot. Bonds3

About (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine

(3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 71253736) has the molecular formula C20H18BrN7 and a molecular weight of 436.32 g/mol. Its IUPAC name is (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine
PubChem CID71253736
Molecular FormulaC20H18BrN7
Molecular Weight436.32 g/mol
Exact Mass435.08
IUPAC Name(3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1
InChIInChI=1S/C20H18BrN7/c21-15-3-4-16(25-20(15)28-7-5-13(22)11-28)19-14-8-17(12-2-1-6-23-9-12)24-10-18(14)26-27-19/h1-4,6,8-10,13H,5,7,11,22H2,(H,26,27)/t13-/m1/s1
InChIKeyOJUHXQHKLKXSGG-CYBMUJFWSA-N
XLogP3.38
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine (CID 71253736) is (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine is N[C@@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1.
What is the InChIKey of (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is OJUHXQHKLKXSGG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18BrN7/c21-15-3-4-16(25-20(15)28-7-5-13(22)11-28)19-14-8-17(12-2-1-6-23-9-12)24-10-18(14)26-27-19/h1-4,6,8-10,13H,5,7,11,22H2,(H,26,27)/t13-/m1/s1.
What are the key properties of (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine?
(3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 436.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 71253736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).