5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C24H23F2N11O — CID 134456462

IUPAC5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(N4CCC4)cn3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C24H23F2N11O/c1-36-34-22(33-35-36)14-5-3-6-15(20(14)38-2)28-16-11-18(30-23-19(16)31-24(32-23)21(25)26)29-17-8-7-13(12-27-17)37-9-4-10-37/h3,5-8,11-12,21H,4,9-10H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyGNMYDIDNAOXBOG-UHFFFAOYSA-N
MW519.52 g/mol
LogP4.19
Rot. Bonds8

About 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456462) has the molecular formula C24H23F2N11O and a molecular weight of 519.52 g/mol. Its IUPAC name is 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456462
Molecular FormulaC24H23F2N11O
Molecular Weight519.52 g/mol
Exact Mass519.21
IUPAC Name5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCOc1c(Nc2cc(Nc3ccc(N4CCC4)cn3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C24H23F2N11O/c1-36-34-22(33-35-36)14-5-3-6-15(20(14)38-2)28-16-11-18(30-23-19(16)31-24(32-23)21(25)26)29-17-8-7-13(12-27-17)37-9-4-10-37/h3,5-8,11-12,21H,4,9-10H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyGNMYDIDNAOXBOG-UHFFFAOYSA-N
XLogP4.19
TPSA134.59 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.52
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine 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 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456462) is 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3ccc(N4CCC4)cn3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1.
What is the InChIKey of 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is GNMYDIDNAOXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N11O/c1-36-34-22(33-35-36)14-5-3-6-15(20(14)38-2)28-16-11-18(30-23-19(16)31-24(32-23)21(25)26)29-17-8-7-13(12-27-17)37-9-4-10-37/h3,5-8,11-12,21H,4,9-10H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 519.52 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[5-(azetidin-1-yl)-2-pyridinyl]-2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).