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

C23H19F2N7OS — CID 153102927

IUPAC1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(CCC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C23H19F2N7OS/c1-13-3-5-15(10-26-13)6-7-19(33)16-9-17(32-23(21(24)25)28-29-30-32)22-27-11-18(31(22)12-16)20-8-4-14(2)34-20/h3-5,8-12,21H,6-7H2,1-2H3
InChIKeyVRKULVZOTHIKCS-UHFFFAOYSA-N
MW479.52 g/mol
LogP4.80
Rot. Bonds7

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

1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one (PubChem CID 153102927) has the molecular formula C23H19F2N7OS and a molecular weight of 479.52 g/mol. Its IUPAC name is 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one
PubChem CID153102927
Molecular FormulaC23H19F2N7OS
Molecular Weight479.52 g/mol
Exact Mass479.13
IUPAC Name1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(CCC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1
InChIInChI=1S/C23H19F2N7OS/c1-13-3-5-15(10-26-13)6-7-19(33)16-9-17(32-23(21(24)25)28-29-30-32)22-27-11-18(31(22)12-16)20-8-4-14(2)34-20/h3-5,8-12,21H,6-7H2,1-2H3
InChIKeyVRKULVZOTHIKCS-UHFFFAOYSA-N
XLogP4.80
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one (CID 153102927) is 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one is Cc1ccc(CCC(=O)c2cc(-n3nnnc3C(F)F)c3ncc(-c4ccc(C)s4)n3c2)cn1.
What is the InChIKey of 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one?
The InChIKey is VRKULVZOTHIKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7OS/c1-13-3-5-15(10-26-13)6-7-19(33)16-9-17(32-23(21(24)25)28-29-30-32)22-27-11-18(31(22)12-16)20-8-4-14(2)34-20/h3-5,8-12,21H,6-7H2,1-2H3.
What are the key properties of 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one?
1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one has a molecular weight of 479.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[5-(difluoromethyl)tetrazol-1-yl]-3-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]-3-(6-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 153102927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).