1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one

C20H21N3O2 — CID 143685645

IUPAC1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one
SMILESCC(=O)Cc1cn2c(C(=O)C3(N)C4CC56C(CC45)CC36)cccc2n1
InChIInChI=1S/C20H21N3O2/c1-10(24)5-12-9-23-15(3-2-4-17(23)22-12)18(25)20(21)14-8-19-11(6-13(14)19)7-16(19)20/h2-4,9,11,13-14,16H,5-8,21H2,1H3
InChIKeyABLLOFQXGWQCCS-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.02
Rot. Bonds4

About 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one

1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one (PubChem CID 143685645) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one
PubChem CID143685645
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one
SMILESCC(=O)Cc1cn2c(C(=O)C3(N)C4CC56C(CC45)CC36)cccc2n1
InChIInChI=1S/C20H21N3O2/c1-10(24)5-12-9-23-15(3-2-4-17(23)22-12)18(25)20(21)14-8-19-11(6-13(14)19)7-16(19)20/h2-4,9,11,13-14,16H,5-8,21H2,1H3
InChIKeyABLLOFQXGWQCCS-UHFFFAOYSA-N
XLogP2.02
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one?
The IUPAC name of 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one (CID 143685645) is 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one is CC(=O)Cc1cn2c(C(=O)C3(N)C4CC56C(CC45)CC36)cccc2n1.
What is the InChIKey of 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one?
The InChIKey is ABLLOFQXGWQCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-10(24)5-12-9-23-15(3-2-4-17(23)22-12)18(25)20(21)14-8-19-11(6-13(14)19)7-16(19)20/h2-4,9,11,13-14,16H,5-8,21H2,1H3.
What are the key properties of 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one?
1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-aminotetracyclo[4.3.0.01,4.02,8]nonane-7-carbonyl)imidazo[1,2-a]pyridin-2-yl]propan-2-one is sourced from PubChem (CID 143685645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).