2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine

C19H15F4N5 — CID 137374017

IUPAC2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cn2ccc(-c3ncccc3-c3cnn(CC(F)C(F)(F)F)c3)cc2n1
InChIInChI=1S/C19H15F4N5/c1-12-9-27-6-4-13(7-17(27)26-12)18-15(3-2-5-24-18)14-8-25-28(10-14)11-16(20)19(21,22)23/h2-10,16H,11H2,1H3
InChIKeyBUTJICWOEBTVOM-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.47
Rot. Bonds4

About 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine

2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 137374017) has the molecular formula C19H15F4N5 and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID137374017
Molecular FormulaC19H15F4N5
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Name2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cn2ccc(-c3ncccc3-c3cnn(CC(F)C(F)(F)F)c3)cc2n1
InChIInChI=1S/C19H15F4N5/c1-12-9-27-6-4-13(7-17(27)26-12)18-15(3-2-5-24-18)14-8-25-28(10-14)11-16(20)19(21,22)23/h2-10,16H,11H2,1H3
InChIKeyBUTJICWOEBTVOM-UHFFFAOYSA-N
XLogP4.47
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine (CID 137374017) is 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine is Cc1cn2ccc(-c3ncccc3-c3cnn(CC(F)C(F)(F)F)c3)cc2n1.
What is the InChIKey of 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is BUTJICWOEBTVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5/c1-12-9-27-6-4-13(7-17(27)26-12)18-15(3-2-5-24-18)14-8-25-28(10-14)11-16(20)19(21,22)23/h2-10,16H,11H2,1H3.
What are the key properties of 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine?
2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 389.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[3-[1-(2,3,3,3-tetrafluoropropyl)pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 137374017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).