3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one

C20H18F3N3O2S — CID 149013728

IUPAC3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3cc(C(F)(F)F)cn(C)c3=O)cnc2s1
InChIInChI=1S/C20H18F3N3O2S/c1-10-25-17-16(11-3-4-11)13(8-24-18(17)29-10)7-15(27)6-12-5-14(20(21,22)23)9-26(2)19(12)28/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyQCDGBDPSYUMTEP-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.95
Rot. Bonds5

About 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one

3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 149013728) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID149013728
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC Name3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3cc(C(F)(F)F)cn(C)c3=O)cnc2s1
InChIInChI=1S/C20H18F3N3O2S/c1-10-25-17-16(11-3-4-11)13(8-24-18(17)29-10)7-15(27)6-12-5-14(20(21,22)23)9-26(2)19(12)28/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyQCDGBDPSYUMTEP-UHFFFAOYSA-N
XLogP3.95
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 149013728) is 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one is Cc1nc2c(C3CC3)c(CC(=O)Cc3cc(C(F)(F)F)cn(C)c3=O)cnc2s1.
What is the InChIKey of 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QCDGBDPSYUMTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c1-10-25-17-16(11-3-4-11)13(8-24-18(17)29-10)7-15(27)6-12-5-14(20(21,22)23)9-26(2)19(12)28/h5,8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 421.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 149013728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).