2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile

C27H25N5O2 — CID 118537490

IUPAC2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
SMILESN#Cc1cc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OCC1CC1
InChIInChI=1S/C27H25N5O2/c28-16-21-15-20(5-8-24(21)34-17-18-1-2-18)23-9-10-29-27-25(23)30-26(31-27)19-3-6-22(7-4-19)32-11-13-33-14-12-32/h3-10,15,18H,1-2,11-14,17H2,(H,29,30,31)
InChIKeyAELZCUGNQVZWSR-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.79
Rot. Bonds6

About 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile

2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile (PubChem CID 118537490) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
PubChem CID118537490
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile
SMILESN#Cc1cc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OCC1CC1
InChIInChI=1S/C27H25N5O2/c28-16-21-15-20(5-8-24(21)34-17-18-1-2-18)23-9-10-29-27-25(23)30-26(31-27)19-3-6-22(7-4-19)32-11-13-33-14-12-32/h3-10,15,18H,1-2,11-14,17H2,(H,29,30,31)
InChIKeyAELZCUGNQVZWSR-UHFFFAOYSA-N
XLogP4.79
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile with MolForge

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Related Compounds

Gdc-0425
CID 58266779
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
N~3~-[5-(1H-Indol-6-YL)-2-(pyridin-2-ylmethoxy)benzyl]pyridine-2,3-diamine
CID 11633167
4-(2-(4-Cyanophenylamino)-5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
CID 11954403
3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179289
6-(3-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179850
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 146659129
1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]pyridine-5-carbonitrile
CID 11725669
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-(2-phenylethoxy)-1H-imidazo[4,5-b]pyridine
CID 10172593
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102
1-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl-3H-imidazol-4-yl)-pyrimidin-2-yl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 12020642
4-[2-(4-Benzyl-phenoxy)-ethyl]-4H-imidazo[4,5-b]pyridine
CID 18678229

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The IUPAC name of 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile (CID 118537490) is 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile is N#Cc1cc(-c2ccnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)ccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
The InChIKey is AELZCUGNQVZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c28-16-21-15-20(5-8-24(21)34-17-18-1-2-18)23-9-10-29-27-25(23)30-26(31-27)19-3-6-22(7-4-19)32-11-13-33-14-12-32/h3-10,15,18H,1-2,11-14,17H2,(H,29,30,31).
What are the key properties of 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile?
2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile has a molecular weight of 451.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]benzonitrile is sourced from PubChem (CID 118537490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).