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

C20H19F2N5O3 — CID 154655651

IUPAC6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide
SMILESCOc1nc2nc(C34COC(C)(C3)C4)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H19F2N5O3/c1-19-8-20(9-19,10-30-19)14-7-27-6-13(17(29-2)26-18(27)25-14)24-16(28)12-5-3-4-11(23-12)15(21)22/h3-7,15H,8-10H2,1-2H3,(H,24,28)
InChIKeyCRYNASHFCZXFTL-UHFFFAOYSA-N
MW415.40 g/mol
LogP3.14
Rot. Bonds5

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

6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide (PubChem CID 154655651) has the molecular formula C20H19F2N5O3 and a molecular weight of 415.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide
PubChem CID154655651
Molecular FormulaC20H19F2N5O3
Molecular Weight415.40 g/mol
Exact Mass415.15
IUPAC Name6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide
SMILESCOc1nc2nc(C34COC(C)(C3)C4)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H19F2N5O3/c1-19-8-20(9-19,10-30-19)14-7-27-6-13(17(29-2)26-18(27)25-14)24-16(28)12-5-3-4-11(23-12)15(21)22/h3-7,15H,8-10H2,1-2H3,(H,24,28)
InChIKeyCRYNASHFCZXFTL-UHFFFAOYSA-N
XLogP3.14
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 155443959
6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655612
N-[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-2-methoxypyridine-3-carboxamide
CID 154655502
N-[6-(difluoromethyl)-2-pyridinyl]-8-ethoxy-2-[(1S,4R)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437004
6-(difluoromethyl)-N-[2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655655
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(2-oxo-1H-pyridin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
CID 167143090
N-[8-chloro-7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655465
1-(2-fluoro-3-methylphenyl)-2-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidin-6-yl]ethanone
CID 165052009
8-methoxy-N-(2-methoxy-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437215
8-methoxy-N-(2-methoxy-3-pyridinyl)-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 155437266
N-[7-(difluoromethoxy)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-2-methoxypyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154998305
6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998121

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide (CID 154655651) is 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide is COc1nc2nc(C34COC(C)(C3)C4)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide?
The InChIKey is CRYNASHFCZXFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3/c1-19-8-20(9-19,10-30-19)14-7-27-6-13(17(29-2)26-18(27)25-14)24-16(28)12-5-3-4-11(23-12)15(21)22/h3-7,15H,8-10H2,1-2H3,(H,24,28).
What are the key properties of 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).