7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

C27H26N6O4 — CID 162769775

IUPAC7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(O[C@@H]2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)C2)cn1
InChIInChI=1S/C27H26N6O4/c1-35-26-5-3-20(15-31-26)37-21-6-9-32(16-21)24-4-2-18(13-29-24)23-10-22(36-17-27(34)7-8-27)11-25-30-14-19(12-28)33(23)25/h2-5,10-11,13-15,21,34H,6-9,16-17H2,1H3/t21-/m1/s1
InChIKeyTZJYAQCMBQMHBT-OAQYLSRUSA-N
MW498.54 g/mol
LogP3.23
Rot. Bonds8

About 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile

7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 162769775) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID162769775
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC Name7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(O[C@@H]2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)C2)cn1
InChIInChI=1S/C27H26N6O4/c1-35-26-5-3-20(15-31-26)37-21-6-9-32(16-21)24-4-2-18(13-29-24)23-10-22(36-17-27(34)7-8-27)11-25-30-14-19(12-28)33(23)25/h2-5,10-11,13-15,21,34H,6-9,16-17H2,1H3/t21-/m1/s1
InChIKeyTZJYAQCMBQMHBT-OAQYLSRUSA-N
XLogP3.23
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

(8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol
CID 9860166
8-(4,5-Dihydro-1,3-oxazol-2-yl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene
CID 23730401
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-((trans)-4-methoxypyrrolidin-3-yloxy)quinoline
CID 25094492
4-[3-[6-(2-Methoxyethoxy)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380383
2-[7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline
CID 59176348
(trans)-4-(2-(7-(2-Methoxyethoxy)imidazo[1.2-a]pyridin-3-yl)quinolin-8-yloxy)piperidin-3-ol
CID 66781440
(3S,4R)-4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidin-3-ol
CID 66781520
4-[2-Methyl-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139180
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[4-[4-(6-methoxy-3-pyridinyl)phenyl]piperazin-1-yl]purin-9-yl]oxolane-3,4-diol
CID 155537423
(4-Methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)methanol
CID 9904199
3-(5,6-Dimethoxy-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 46913421
(4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one
CID 46913423

Frequently Asked Questions

What is the IUPAC name of 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 162769775) is 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(O[C@@H]2CCN(c3ccc(-c4cc(OCC5(O)CC5)cc5ncc(C#N)n45)cn3)C2)cn1.
What is the InChIKey of 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is TZJYAQCMBQMHBT-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H26N6O4/c1-35-26-5-3-20(15-31-26)37-21-6-9-32(16-21)24-4-2-18(13-29-24)23-10-22(36-17-27(34)7-8-27)11-25-30-14-19(12-28)33(23)25/h2-5,10-11,13-15,21,34H,6-9,16-17H2,1H3/t21-/m1/s1.
What are the key properties of 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 498.54 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[(3R)-3-[(6-methoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162769775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).