5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C21H23ClN8O2 — CID 134455565

IUPAC5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1
InChIInChI=1S/C21H23ClN8O2/c1-12-23-18-15(11-16(22)25-21(18)30(12)17-9-4-5-10-32-17)24-14-8-6-7-13(19(14)31-3)20-26-28-29(2)27-20/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25)
InChIKeyRUJWSPRXYVSGHP-UHFFFAOYSA-N
MW454.92 g/mol
LogP4.03
Rot. Bonds5

About 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 134455565) has the molecular formula C21H23ClN8O2 and a molecular weight of 454.92 g/mol. Its IUPAC name is 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
PubChem CID134455565
Molecular FormulaC21H23ClN8O2
Molecular Weight454.92 g/mol
Exact Mass454.16
IUPAC Name5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
SMILESCOc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1
InChIInChI=1S/C21H23ClN8O2/c1-12-23-18-15(11-16(22)25-21(18)30(12)17-9-4-5-10-32-17)24-14-8-6-7-13(19(14)31-3)20-26-28-29(2)27-20/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25)
InChIKeyRUJWSPRXYVSGHP-UHFFFAOYSA-N
XLogP4.03
TPSA104.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455406
5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455543
6-[[2-(difluoromethyl)-7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455555
3-(azetidin-1-yl)-6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455641
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455651
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-[(3S)-3-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 134455691
3-(3-chloropropylamino)-6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455744
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134456114
2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456147
2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456251
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-4-methylpyridine-2-carbonitrile
CID 134456331
2-(difluoromethyl)-7-N-[2-methoxy-3-(1-methylpyrazol-3-yl)phenyl]-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456476

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 134455565) is 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.
What is the InChIKey of 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is RUJWSPRXYVSGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN8O2/c1-12-23-18-15(11-16(22)25-21(18)30(12)17-9-4-5-10-32-17)24-14-8-6-7-13(19(14)31-3)20-26-28-29(2)27-20/h6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25).
What are the key properties of 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?
5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 454.92 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134455565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).