4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

C24H22N8O3 — CID 138571643

IUPAC4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c2ncn(C)c2n1
InChIInChI=1S/C24H22N8O3/c1-15-9-17(11-25)26-13-19(15)35-21-10-18(22-23(30-21)31(2)14-28-22)29-20-4-3-16(12-27-20)24(33)32-5-7-34-8-6-32/h3-4,9-10,12-14H,5-8H2,1-2H3,(H,27,29,30)
InChIKeyKVJYMIYOBIVPHB-UHFFFAOYSA-N
MW470.49 g/mol
LogP2.95
Rot. Bonds5

About 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile

4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 138571643) has the molecular formula C24H22N8O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
PubChem CID138571643
Molecular FormulaC24H22N8O3
Molecular Weight470.49 g/mol
Exact Mass470.18
IUPAC Name4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c2ncn(C)c2n1
InChIInChI=1S/C24H22N8O3/c1-15-9-17(11-25)26-13-19(15)35-21-10-18(22-23(30-21)31(2)14-28-22)29-20-4-3-16(12-27-20)24(33)32-5-7-34-8-6-32/h3-4,9-10,12-14H,5-8H2,1-2H3,(H,27,29,30)
InChIKeyKVJYMIYOBIVPHB-UHFFFAOYSA-N
XLogP2.95
TPSA131.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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Tyk2-IN-14
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[(3S)-3-[8-(6-methoxy-3-pyridinyl)-9-methylpurin-6-yl]oxypyrrolidin-1-yl]-(oxan-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 138571643) is 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c2ncn(C)c2n1.
What is the InChIKey of 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is KVJYMIYOBIVPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O3/c1-15-9-17(11-25)26-13-19(15)35-21-10-18(22-23(30-21)31(2)14-28-22)29-20-4-3-16(12-27-20)24(33)32-5-7-34-8-6-32/h3-4,9-10,12-14H,5-8H2,1-2H3,(H,27,29,30).
What are the key properties of 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 470.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-methyl-7-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138571643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).