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

C25H21F3N8O3 — CID 138571655

IUPAC4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCOC(C(F)(F)F)C3)cn2)c2ncn(C)c2n1
InChIInChI=1S/C25H21F3N8O3/c1-14-7-16(9-29)30-11-18(14)39-21-8-17(22-23(34-21)35(2)13-32-22)33-20-4-3-15(10-31-20)24(37)36-5-6-38-19(12-36)25(26,27)28/h3-4,7-8,10-11,13,19H,5-6,12H2,1-2H3,(H,31,33,34)
InChIKeyBRDJUNBMSFONCW-UHFFFAOYSA-N
MW538.49 g/mol
LogP3.88
Rot. Bonds5

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

4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (PubChem CID 138571655) has the molecular formula C25H21F3N8O3 and a molecular weight of 538.49 g/mol. Its IUPAC name is 4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)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-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
PubChem CID138571655
Molecular FormulaC25H21F3N8O3
Molecular Weight538.49 g/mol
Exact Mass538.17
IUPAC Name4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCOC(C(F)(F)F)C3)cn2)c2ncn(C)c2n1
InChIInChI=1S/C25H21F3N8O3/c1-14-7-16(9-29)30-11-18(14)39-21-8-17(22-23(34-21)35(2)13-32-22)33-20-4-3-15(10-31-20)24(37)36-5-6-38-19(12-36)25(26,27)28/h3-4,7-8,10-11,13,19H,5-6,12H2,1-2H3,(H,31,33,34)
InChIKeyBRDJUNBMSFONCW-UHFFFAOYSA-N
XLogP3.88
TPSA131.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)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-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile (CID 138571655) is 4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)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-[2-(trifluoromethyl)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-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N3CCOC(C(F)(F)F)C3)cn2)c2ncn(C)c2n1.
What is the InChIKey of 4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is BRDJUNBMSFONCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N8O3/c1-14-7-16(9-29)30-11-18(14)39-21-8-17(22-23(34-21)35(2)13-32-22)33-20-4-3-15(10-31-20)24(37)36-5-6-38-19(12-36)25(26,27)28/h3-4,7-8,10-11,13,19H,5-6,12H2,1-2H3,(H,31,33,34).
What are the key properties of 4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile?
4-methyl-5-[3-methyl-7-[[5-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 538.49 g/mol, XLogP of 3.88, 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-[2-(trifluoromethyl)morpholine-4-carbonyl]-2-pyridinyl]amino]imidazo[4,5-b]pyridin-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 138571655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).