N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide

C21H20F2N4O2 — CID 154655220

IUPACN-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cn3cc(C45COC(C)(C4)C5)nc3cc2C(F)F)n1
InChIInChI=1S/C21H20F2N4O2/c1-12-4-3-5-14(24-12)19(28)25-15-7-27-8-16(21-9-20(2,10-21)29-11-21)26-17(27)6-13(15)18(22)23/h3-8,18H,9-11H2,1-2H3,(H,25,28)
InChIKeyBBTMQHXPOATJFW-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.05
Rot. Bonds4

About N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide

N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide (PubChem CID 154655220) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
PubChem CID154655220
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cn3cc(C45COC(C)(C4)C5)nc3cc2C(F)F)n1
InChIInChI=1S/C21H20F2N4O2/c1-12-4-3-5-14(24-12)19(28)25-15-7-27-8-16(21-9-20(2,10-21)29-11-21)26-17(27)6-13(15)18(22)23/h3-8,18H,9-11H2,1-2H3,(H,25,28)
InChIKeyBBTMQHXPOATJFW-UHFFFAOYSA-N
XLogP4.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide (CID 154655220) is N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cn3cc(C45COC(C)(C4)C5)nc3cc2C(F)F)n1.
What is the InChIKey of N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is BBTMQHXPOATJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-12-4-3-5-14(24-12)19(28)25-15-7-27-8-16(21-9-20(2,10-21)29-11-21)26-17(27)6-13(15)18(22)23/h3-8,18H,9-11H2,1-2H3,(H,25,28).
What are the key properties of N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide?
N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 154655220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).