6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile

C30H34N12O3 — CID 134455673

IUPAC6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C#N)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1
InChIInChI=1S/C30H34N12O3/c1-17-33-25-20(34-19-11-9-10-18(26(19)43-5)28-38-40-41(4)39-28)14-22(37-29(25)42(17)24-12-7-8-13-45-24)36-23-16-32-27(21(15-31)35-23)30(2,3)44-6/h9-11,14,16,24H,7-8,12-13H2,1-6H3,(H2,34,35,36,37)
InChIKeyLXTSDMITEHTQMP-UHFFFAOYSA-N
MW610.68 g/mol
LogP4.67
Rot. Bonds9

About 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile

6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile (PubChem CID 134455673) has the molecular formula C30H34N12O3 and a molecular weight of 610.68 g/mol. Its IUPAC name is 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile
PubChem CID134455673
Molecular FormulaC30H34N12O3
Molecular Weight610.68 g/mol
Exact Mass610.29
IUPAC Name6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C#N)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1
InChIInChI=1S/C30H34N12O3/c1-17-33-25-20(34-19-11-9-10-18(26(19)43-5)28-38-40-41(4)39-28)14-22(37-29(25)42(17)24-12-7-8-13-45-24)36-23-16-32-27(21(15-31)35-23)30(2,3)44-6/h9-11,14,16,24H,7-8,12-13H2,1-6H3,(H2,34,35,36,37)
InChIKeyLXTSDMITEHTQMP-UHFFFAOYSA-N
XLogP4.67
TPSA175.63 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.68
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile (CID 134455673) is 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile is COc1c(Nc2cc(Nc3cnc(C(C)(C)OC)c(C#N)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.
What is the InChIKey of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile?
The InChIKey is LXTSDMITEHTQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N12O3/c1-17-33-25-20(34-19-11-9-10-18(26(19)43-5)28-38-40-41(4)39-28)14-22(37-29(25)42(17)24-12-7-8-13-45-24)36-23-16-32-27(21(15-31)35-23)30(2,3)44-6/h9-11,14,16,24H,7-8,12-13H2,1-6H3,(H2,34,35,36,37).
What are the key properties of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile?
6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile has a molecular weight of 610.68 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 134455673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).