2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile

C24H24F2N4O4 — CID 155340552

IUPAC2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
SMILESCOc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C(=O)N1CC(OC)C1
InChIInChI=1S/C24H24F2N4O4/c1-24(2,13-27)15-5-6-30-17(10-28-20(30)9-15)14-7-18(33-4)21(19(8-14)34-23(25)26)22(31)29-11-16(12-29)32-3/h5-10,16,23H,11-12H2,1-4H3
InChIKeyIWLVCBNSJNDICQ-UHFFFAOYSA-N
MW470.48 g/mol
LogP3.88
Rot. Bonds7

About 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile

2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile (PubChem CID 155340552) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
PubChem CID155340552
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
SMILESCOc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C(=O)N1CC(OC)C1
InChIInChI=1S/C24H24F2N4O4/c1-24(2,13-27)15-5-6-30-17(10-28-20(30)9-15)14-7-18(33-4)21(19(8-14)34-23(25)26)22(31)29-11-16(12-29)32-3/h5-10,16,23H,11-12H2,1-4H3
InChIKeyIWLVCBNSJNDICQ-UHFFFAOYSA-N
XLogP3.88
TPSA89.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile (CID 155340552) is 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile is COc1cc(-c2cnc3cc(C(C)(C)C#N)ccn23)cc(OC(F)F)c1C(=O)N1CC(OC)C1.
What is the InChIKey of 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile?
The InChIKey is IWLVCBNSJNDICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c1-24(2,13-27)15-5-6-30-17(10-28-20(30)9-15)14-7-18(33-4)21(19(8-14)34-23(25)26)22(31)29-11-16(12-29)32-3/h5-10,16,23H,11-12H2,1-4H3.
What are the key properties of 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile?
2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile has a molecular weight of 470.48 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(difluoromethoxy)-5-methoxy-4-(3-methoxyazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile is sourced from PubChem (CID 155340552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).