3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one

C25H25N7OS — CID 147330265

IUPAC3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one
SMILESCc1ccc(CCC(=O)c2cc(-n3nnnc3C(C)C)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C25H25N7OS/c1-15(2)24-28-29-30-32(24)20-11-19(22(33)9-8-18-7-5-16(3)26-12-18)14-31-21(13-27-25(20)31)23-10-6-17(4)34-23/h5-7,10-15H,8-9H2,1-4H3
InChIKeyDBNHFEJQHVAZGY-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.99
Rot. Bonds7

About 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one

3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one (PubChem CID 147330265) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one
PubChem CID147330265
Molecular FormulaC25H25N7OS
Molecular Weight471.59 g/mol
Exact Mass471.18
IUPAC Name3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one
SMILESCc1ccc(CCC(=O)c2cc(-n3nnnc3C(C)C)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C25H25N7OS/c1-15(2)24-28-29-30-32(24)20-11-19(22(33)9-8-18-7-5-16(3)26-12-18)14-31-21(13-27-25(20)31)23-10-6-17(4)34-23/h5-7,10-15H,8-9H2,1-4H3
InChIKeyDBNHFEJQHVAZGY-UHFFFAOYSA-N
XLogP4.99
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one?
The IUPAC name of 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one (CID 147330265) is 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one.
What is the SMILES notation for 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one?
The canonical SMILES for 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one is Cc1ccc(CCC(=O)c2cc(-n3nnnc3C(C)C)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one?
The InChIKey is DBNHFEJQHVAZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c1-15(2)24-28-29-30-32(24)20-11-19(22(33)9-8-18-7-5-16(3)26-12-18)14-31-21(13-27-25(20)31)23-10-6-17(4)34-23/h5-7,10-15H,8-9H2,1-4H3.
What are the key properties of 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one?
3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one has a molecular weight of 471.59 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-pyridinyl)-1-[3-(5-methylthiophen-2-yl)-8-(5-propan-2-yltetrazol-1-yl)imidazo[1,2-a]pyridin-6-yl]propan-1-one is sourced from PubChem (CID 147330265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).