3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

C18H25N5O — CID 119136092

IUPAC3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)CN1CCOC(CNCc2cnc3ccc(C#N)cn23)C1
InChIInChI=1S/C18H25N5O/c1-14(2)11-22-5-6-24-17(13-22)10-20-8-16-9-21-18-4-3-15(7-19)12-23(16)18/h3-4,9,12,14,17,20H,5-6,8,10-11,13H2,1-2H3
InChIKeyVGSNOIFKXVWPRS-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.65
Rot. Bonds6

About 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 119136092) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID119136092
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(C)CN1CCOC(CNCc2cnc3ccc(C#N)cn23)C1
InChIInChI=1S/C18H25N5O/c1-14(2)11-22-5-6-24-17(13-22)10-20-8-16-9-21-18-4-3-15(7-19)12-23(16)18/h3-4,9,12,14,17,20H,5-6,8,10-11,13H2,1-2H3
InChIKeyVGSNOIFKXVWPRS-UHFFFAOYSA-N
XLogP1.65
TPSA65.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile with MolForge

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Related Compounds

4-cyano-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 46457730
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pyridine-3-carbonitrile
CID 22110783
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
2-[(4-cyanophenyl)methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369911
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 64535519
N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide
CID 9268036
3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 56810364
4-[(2R)-3-[[(2R)-4-ethylmorpholin-2-yl]methylamino]-2-hydroxypropoxy]benzonitrile
CID 100844104
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-3,5-difluorobenzonitrile
CID 107039033
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369567
N-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 78809630

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 119136092) is 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is CC(C)CN1CCOC(CNCc2cnc3ccc(C#N)cn23)C1.
What is the InChIKey of 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is VGSNOIFKXVWPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)11-22-5-6-24-17(13-22)10-20-8-16-9-21-18-4-3-15(7-19)12-23(16)18/h3-4,9,12,14,17,20H,5-6,8,10-11,13H2,1-2H3.
What are the key properties of 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 119136092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).