4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

C22H21N9O2 — CID 138560421

IUPAC4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)nn2)c2ncn(C)c2n1
InChIInChI=1S/C22H21N9O2/c1-14-9-15(11-23)24-12-17(14)33-20-10-16(21-22(27-20)30(2)13-25-21)26-18-3-4-19(29-28-18)31-5-7-32-8-6-31/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,27,28)
InChIKeyGXELZXDURVDKHP-UHFFFAOYSA-N
MW443.47 g/mol
LogP2.71
Rot. Bonds5

About 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 138560421) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
PubChem CID138560421
Molecular FormulaC22H21N9O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)nn2)c2ncn(C)c2n1
InChIInChI=1S/C22H21N9O2/c1-14-9-15(11-23)24-12-17(14)33-20-10-16(21-22(27-20)30(2)13-25-21)26-18-3-4-19(29-28-18)31-5-7-32-8-6-31/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,27,28)
InChIKeyGXELZXDURVDKHP-UHFFFAOYSA-N
XLogP2.71
TPSA126.90 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 138560421) is 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(N3CCOCC3)nn2)c2ncn(C)c2n1.
What is the InChIKey of 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is GXELZXDURVDKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O2/c1-14-9-15(11-23)24-12-17(14)33-20-10-16(21-22(27-20)30(2)13-25-21)26-18-3-4-19(29-28-18)31-5-7-32-8-6-31/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,26,27,28).
What are the key properties of 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 443.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-methyl-7-[(6-morpholin-4-ylpyridazin-3-yl)amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138560421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).