ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate

C19H16FN5O2S — CID 134202701

IUPACethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc3nccn3c2)c(-c2cccc(C)n2)nn1SF
InChIInChI=1S/C19H16FN5O2S/c1-3-27-19(26)18-16(13-7-8-15-21-9-10-24(15)11-13)17(23-25(18)28-20)14-6-4-5-12(2)22-14/h4-11H,3H2,1-2H3
InChIKeyKDTLKRPKDSZVPF-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.13
Rot. Bonds5

About ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate

ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate (PubChem CID 134202701) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate
PubChem CID134202701
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Nameethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccc3nccn3c2)c(-c2cccc(C)n2)nn1SF
InChIInChI=1S/C19H16FN5O2S/c1-3-27-19(26)18-16(13-7-8-15-21-9-10-24(15)11-13)17(23-25(18)28-20)14-6-4-5-12(2)22-14/h4-11H,3H2,1-2H3
InChIKeyKDTLKRPKDSZVPF-UHFFFAOYSA-N
XLogP4.13
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate (CID 134202701) is ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate is CCOC(=O)c1c(-c2ccc3nccn3c2)c(-c2cccc(C)n2)nn1SF.
What is the InChIKey of ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate?
The InChIKey is KDTLKRPKDSZVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-3-27-19(26)18-16(13-7-8-15-21-9-10-24(15)11-13)17(23-25(18)28-20)14-6-4-5-12(2)22-14/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate?
ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate has a molecular weight of 397.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluorosulfanyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazole-5-carboxylate is sourced from PubChem (CID 134202701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).