5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile

C35H38N4O7 — CID 134565872

IUPAC5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESCCC(O)CC1COCC(C)N1C(=O)c1cnc(-c2cc3nccc(-c4ccc(OC5CCOCC5)c(C#N)c4)c3o2)c(OC)c1
InChIInChI=1S/C35H38N4O7/c1-4-26(40)15-25-20-44-19-21(2)39(25)35(41)24-14-31(42-3)33(38-18-24)32-16-29-34(46-32)28(7-10-37-29)22-5-6-30(23(13-22)17-36)45-27-8-11-43-12-9-27/h5-7,10,13-14,16,18,21,25-27,40H,4,8-9,11-12,15,19-20H2,1-3H3
InChIKeyMBPSOCNWDCIVDD-UHFFFAOYSA-N
MW626.71 g/mol
LogP5.39
Rot. Bonds9

About 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile

5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 134565872) has the molecular formula C35H38N4O7 and a molecular weight of 626.71 g/mol. Its IUPAC name is 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID134565872
Molecular FormulaC35H38N4O7
Molecular Weight626.71 g/mol
Exact Mass626.27
IUPAC Name5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESCCC(O)CC1COCC(C)N1C(=O)c1cnc(-c2cc3nccc(-c4ccc(OC5CCOCC5)c(C#N)c4)c3o2)c(OC)c1
InChIInChI=1S/C35H38N4O7/c1-4-26(40)15-25-20-44-19-21(2)39(25)35(41)24-14-31(42-3)33(38-18-24)32-16-29-34(46-32)28(7-10-37-29)22-5-6-30(23(13-22)17-36)45-27-8-11-43-12-9-27/h5-7,10,13-14,16,18,21,25-27,40H,4,8-9,11-12,15,19-20H2,1-3H3
InChIKeyMBPSOCNWDCIVDD-UHFFFAOYSA-N
XLogP5.39
TPSA140.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.71
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile with MolForge

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Related Compounds

5-[2-(5-formyl-3-methoxy-2-pyridinyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 145224036
5-[2-[5-[hydroxy(piperidin-1-yl)methyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 139538403
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(2-methoxyethyl)-N-methylbenzamide
CID 71680016
5-[2-(4-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71679191
N-(1-aminopentan-3-yl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxybenzamide
CID 134565801
2-(oxolan-3-yloxy)-5-[2-[4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]benzonitrile
CID 71677846
5-[2-[5-[hydroxy-[2-hydroxyethyl(methyl)amino]methyl]-3-methoxy-2-pyridinyl]-6-propan-2-ylfuro[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 134565903
5-[2-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 123223380
5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 71664625
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(2-pyridin-3-ylethyl)benzamide
CID 71678863
5-[2-[4-(aminomethoxymethyl)phenyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 123580017
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide
CID 134565858

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile (CID 134565872) is 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile is CCC(O)CC1COCC(C)N1C(=O)c1cnc(-c2cc3nccc(-c4ccc(OC5CCOCC5)c(C#N)c4)c3o2)c(OC)c1.
What is the InChIKey of 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is MBPSOCNWDCIVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O7/c1-4-26(40)15-25-20-44-19-21(2)39(25)35(41)24-14-31(42-3)33(38-18-24)32-16-29-34(46-32)28(7-10-37-29)22-5-6-30(23(13-22)17-36)45-27-8-11-43-12-9-27/h5-7,10,13-14,16,18,21,25-27,40H,4,8-9,11-12,15,19-20H2,1-3H3.
What are the key properties of 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 626.71 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[3-(2-hydroxybutyl)-5-methylmorpholine-4-carbonyl]-3-methoxy-2-pyridinyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 134565872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).