(7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

C18H29N3O2 — CID 97158428

IUPAC(7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCCC1(CC)[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H](C)[C@@H]1OC
InChIInChI=1S/C18H29N3O2/c1-5-18(6-2)15(12(3)16(18)23-4)20-17(22)13-7-9-21-10-8-19-14(21)11-13/h8,10,12-13,15-16H,5-7,9,11H2,1-4H3,(H,20,22)/t12-,13-,15-,16+/m1/s1
InChIKeyDHLWLMDFOXSILW-XOUADPBQSA-N
MW319.45 g/mol
LogP2.40
Rot. Bonds5

About (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

(7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 97158428) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID97158428
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESCCC1(CC)[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H](C)[C@@H]1OC
InChIInChI=1S/C18H29N3O2/c1-5-18(6-2)15(12(3)16(18)23-4)20-17(22)13-7-9-21-10-8-19-14(21)11-13/h8,10,12-13,15-16H,5-7,9,11H2,1-4H3,(H,20,22)/t12-,13-,15-,16+/m1/s1
InChIKeyDHLWLMDFOXSILW-XOUADPBQSA-N
XLogP2.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide with MolForge

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Related Compounds

N-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112530767
N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112527700
N-(2,4,4-trimethylpentan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 84578906
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 127832089
(7S)-N-[(2-methyl-4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 99794171
N-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112528929
(2,6-dimethylpiperidin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)methanone
CID 84578830
N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 110476602
7-prop-1-en-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390184
N-[2-(2-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 136565833
(7R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 124611071
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112529934

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (CID 97158428) is (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is CCC1(CC)[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@@H](C)[C@@H]1OC.
What is the InChIKey of (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is DHLWLMDFOXSILW-XOUADPBQSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-18(6-2)15(12(3)16(18)23-4)20-17(22)13-7-9-21-10-8-19-14(21)11-13/h8,10,12-13,15-16H,5-7,9,11H2,1-4H3,(H,20,22)/t12-,13-,15-,16+/m1/s1.
What are the key properties of (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
(7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 97158428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).