formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide

C23H32N4O4 — CID 163334516

IUPACformic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1[C@H]2CN(Cc3cn4cc(C)ccc4n3)C[C@]23CC[C@H]1O3.O=CO
InChIInChI=1S/C22H30N4O2.CH2O2/c1-3-4-21(27)23-9-17-18-13-25(14-22(18)8-7-19(17)28-22)11-16-12-26-10-15(2)5-6-20(26)24-16;2-1-3/h5-6,10,12,17-19H,3-4,7-9,11,13-14H2,1-2H3,(H,23,27);1H,(H,2,3)/t17-,18+,19+,22+;/m0./s1
InChIKeyKMQFMRLDNAWPCG-UCXINICASA-N
MW428.53 g/mol
LogP2.24
Rot. Bonds6

About formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide

formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide (PubChem CID 163334516) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide.

Molecular Properties

Compound Nameformic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
PubChem CID163334516
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Nameformic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1[C@H]2CN(Cc3cn4cc(C)ccc4n3)C[C@]23CC[C@H]1O3.O=CO
InChIInChI=1S/C22H30N4O2.CH2O2/c1-3-4-21(27)23-9-17-18-13-25(14-22(18)8-7-19(17)28-22)11-16-12-26-10-15(2)5-6-20(26)24-16;2-1-3/h5-6,10,12,17-19H,3-4,7-9,11,13-14H2,1-2H3,(H,23,27);1H,(H,2,3)/t17-,18+,19+,22+;/m0./s1
InChIKeyKMQFMRLDNAWPCG-UCXINICASA-N
XLogP2.24
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-[(3,4-dimethoxy-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide;formic acid
CID 171712304
2-[[(1S,5S,6R,7R)-6-[(butanoylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]benzoic acid
CID 155508463
N-[[(1S,5S,6R,7R)-3-(cyclobutylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(4-methylphenyl)propanamide;formic acid
CID 155940343
formic acid;4-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methyl-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pentanamide
CID 155939571
N-[[(1S,5S,6R,7R)-3-[(4-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
CID 154817901
2-[(1S,5S,6R,7R)-6-[[3-(4-methylphenyl)propanoylamino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid
CID 155497788
N-[[(1S,5S,6R,7R)-3-[(2-fluoro-4-methoxyphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide
CID 155909890
2-[(1S,5S,6R,7R)-6-[[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid
CID 169420427
3-ethoxy-N-[[(1S,5S,6R,7R)-3-[(2-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]propanamide
CID 155507751
N-[[(1S,5S,6R,7R)-3-[(3,4-dimethylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclobutanecarboxamide;formic acid
CID 155940572
N-[[(1S,5S,6R,7R)-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]hept-5-enamide
CID 171150724
formic acid;2-methoxy-N-[[(1S,5S,6R,7R)-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
CID 155940902

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide?
The IUPAC name of formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide (CID 163334516) is formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide.
What is the SMILES notation for formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide?
The canonical SMILES for formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide is CCCC(=O)NC[C@H]1[C@H]2CN(Cc3cn4cc(C)ccc4n3)C[C@]23CC[C@H]1O3.O=CO.
What is the InChIKey of formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide?
The InChIKey is KMQFMRLDNAWPCG-UCXINICASA-N. The full InChI is InChI=1S/C22H30N4O2.CH2O2/c1-3-4-21(27)23-9-17-18-13-25(14-22(18)8-7-19(17)28-22)11-16-12-26-10-15(2)5-6-20(26)24-16;2-1-3/h5-6,10,12,17-19H,3-4,7-9,11,13-14H2,1-2H3,(H,23,27);1H,(H,2,3)/t17-,18+,19+,22+;/m0./s1.
What are the key properties of formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide?
formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide has a molecular weight of 428.53 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[[(1S,5S,6R,7R)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]butanamide is sourced from PubChem (CID 163334516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).