N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide

C18H19F2N5O — CID 118692448

IUPACN-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CN3CCC(F)(F)CC3)n(C3=CC=C3)c2n1
InChIInChI=1S/C18H19F2N5O/c1-12-5-6-14-16(21-12)25(13-3-2-4-13)17(22-14)23-15(26)11-24-9-7-18(19,20)8-10-24/h2-6H,7-11H2,1H3,(H,22,23,26)
InChIKeySLONQCCYNWRYQB-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.82
Rot. Bonds4

About N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide

N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide (PubChem CID 118692448) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide
PubChem CID118692448
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC NameN-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CN3CCC(F)(F)CC3)n(C3=CC=C3)c2n1
InChIInChI=1S/C18H19F2N5O/c1-12-5-6-14-16(21-12)25(13-3-2-4-13)17(22-14)23-15(26)11-24-9-7-18(19,20)8-10-24/h2-6H,7-11H2,1H3,(H,22,23,26)
InChIKeySLONQCCYNWRYQB-UHFFFAOYSA-N
XLogP2.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 118692554
N-[3-(cyclobutadienyl)-5-ethynylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 118692640
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-2-(6,6-dimethyloxan-2-yl)acetamide
CID 118692520
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2,3,3-tetrafluorocyclobutyl)acetamide;methane
CID 157256627
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 118692573
ethyl 4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]benzoate
CID 171701426
N-[3-(2,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 130359706
3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 118697321
N-[5-chloro-3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-cyclohexyloxypropanamide
CID 118692499
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-cyclopentylacetamide
CID 118697273
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(2,2-dimethylcyclopropyl)acetamide;methane
CID 159980573
N-[3-(cyclobutadienyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylpropanamide
CID 118692619

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide?
The IUPAC name of N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide (CID 118692448) is N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide?
The canonical SMILES for N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide is Cc1ccc2nc(NC(=O)CN3CCC(F)(F)CC3)n(C3=CC=C3)c2n1.
What is the InChIKey of N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide?
The InChIKey is SLONQCCYNWRYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-12-5-6-14-16(21-12)25(13-3-2-4-13)17(22-14)23-15(26)11-24-9-7-18(19,20)8-10-24/h2-6H,7-11H2,1H3,(H,22,23,26).
What are the key properties of N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide?
N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide has a molecular weight of 359.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutadienyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-2-(4,4-difluoropiperidin-1-yl)acetamide is sourced from PubChem (CID 118692448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).