1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol

C24H23F2N11O2 — CID 134455582

IUPAC1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol
SMILESCOc1c(Nc2cc(Nc3ccc(N4CC(O)C4)cn3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C24H23F2N11O2/c1-36-34-22(33-35-36)14-4-3-5-15(20(14)39-2)28-16-8-18(30-23-19(16)31-24(32-23)21(25)26)29-17-7-6-12(9-27-17)37-10-13(38)11-37/h3-9,13,21,38H,10-11H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyBQRGGIGKYVVSLH-UHFFFAOYSA-N
MW535.52 g/mol
LogP3.16
Rot. Bonds8

About 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol

1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol (PubChem CID 134455582) has the molecular formula C24H23F2N11O2 and a molecular weight of 535.52 g/mol. Its IUPAC name is 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol
PubChem CID134455582
Molecular FormulaC24H23F2N11O2
Molecular Weight535.52 g/mol
Exact Mass535.20
IUPAC Name1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol
SMILESCOc1c(Nc2cc(Nc3ccc(N4CC(O)C4)cn3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
InChIInChI=1S/C24H23F2N11O2/c1-36-34-22(33-35-36)14-4-3-5-15(20(14)39-2)28-16-8-18(30-23-19(16)31-24(32-23)21(25)26)29-17-7-6-12(9-27-17)37-10-13(38)11-37/h3-9,13,21,38H,10-11H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyBQRGGIGKYVVSLH-UHFFFAOYSA-N
XLogP3.16
TPSA154.82 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.52
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol?
The IUPAC name of 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol (CID 134455582) is 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol.
What is the SMILES notation for 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol?
The canonical SMILES for 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol is COc1c(Nc2cc(Nc3ccc(N4CC(O)C4)cn3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1.
What is the InChIKey of 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol?
The InChIKey is BQRGGIGKYVVSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N11O2/c1-36-34-22(33-35-36)14-4-3-5-15(20(14)39-2)28-16-8-18(30-23-19(16)31-24(32-23)21(25)26)29-17-7-6-12(9-27-17)37-10-13(38)11-37/h3-9,13,21,38H,10-11H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol?
1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol has a molecular weight of 535.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-pyridinyl]azetidin-3-ol is sourced from PubChem (CID 134455582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).