methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate

C18H25N3O3 — CID 98345519

IUPACmethyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1nc(C)n2c1CCCC2
InChIInChI=1S/C18H25N3O3/c1-10-19-16(13-5-3-4-8-21(10)13)17(22)20-15-12-7-6-11(9-12)14(15)18(23)24-2/h11-12,14-15H,3-9H2,1-2H3,(H,20,22)/t11-,12-,14-,15+/m0/s1
InChIKeyNPVARZJLIAHPKG-NZBPQXDJSA-N
MW331.42 g/mol
LogP1.85
Rot. Bonds3

About methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate

methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 98345519) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID98345519
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Namemethyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1nc(C)n2c1CCCC2
InChIInChI=1S/C18H25N3O3/c1-10-19-16(13-5-3-4-8-21(10)13)17(22)20-15-12-7-6-11(9-12)14(15)18(23)24-2/h11-12,14-15H,3-9H2,1-2H3,(H,20,22)/t11-,12-,14-,15+/m0/s1
InChIKeyNPVARZJLIAHPKG-NZBPQXDJSA-N
XLogP1.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate with MolForge

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Related Compounds

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CID 98351784
methyl (1S,2R,3S,4S)-3-[(5-chlorofuran-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
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methyl (1S,2S,3S,4S)-3-[(4-ethylthiadiazole-5-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98176738
methyl (1S,2R,3R,4S)-3-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 129424745
methyl (1S,2R,3R,4S)-3-[(2,6-difluorobenzoyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 129426383
3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074364
methyl (1S,2R,3R,4S)-3-[(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124739072
methyl (3S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-phenylpropanoate
CID 97008528
1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072798
methyl (1S,2R,3R,4S)-3-[(1,5-dimethylpyrazol-3-yl)carbamoylamino]bicyclo[2.2.1]heptane-2-carboxylate
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CID 124791672

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate (CID 98345519) is methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate is COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1nc(C)n2c1CCCC2.
What is the InChIKey of methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is NPVARZJLIAHPKG-NZBPQXDJSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-10-19-16(13-5-3-4-8-21(10)13)17(22)20-15-12-7-6-11(9-12)14(15)18(23)24-2/h11-12,14-15H,3-9H2,1-2H3,(H,20,22)/t11-,12-,14-,15+/m0/s1.
What are the key properties of methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate?
methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3R,4S)-3-[(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 98345519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).