1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one

C19H15ClF4N6O2 — CID 176510913

IUPAC1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3nc(C(F)(F)F)nn3c2)cnc2cc(Cl)nn12
InChIInChI=1S/C19H15ClF4N6O2/c1-9(32-2)16-11(7-25-15-6-14(20)27-30(15)16)5-12(31)3-10-4-13(21)17-26-18(19(22,23)24)28-29(17)8-10/h4,6-9H,3,5H2,1-2H3/t9-/m0/s1
InChIKeyFIVMQTVCKOVELD-VIFPVBQESA-N
MW470.81 g/mol
LogP3.64
Rot. Bonds6

About 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one

1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one (PubChem CID 176510913) has the molecular formula C19H15ClF4N6O2 and a molecular weight of 470.81 g/mol. Its IUPAC name is 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one
PubChem CID176510913
Molecular FormulaC19H15ClF4N6O2
Molecular Weight470.81 g/mol
Exact Mass470.09
IUPAC Name1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3nc(C(F)(F)F)nn3c2)cnc2cc(Cl)nn12
InChIInChI=1S/C19H15ClF4N6O2/c1-9(32-2)16-11(7-25-15-6-14(20)27-30(15)16)5-12(31)3-10-4-13(21)17-26-18(19(22,23)24)28-29(17)8-10/h4,6-9H,3,5H2,1-2H3/t9-/m0/s1
InChIKeyFIVMQTVCKOVELD-VIFPVBQESA-N
XLogP3.64
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.81
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one?
The IUPAC name of 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one (CID 176510913) is 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one.
What is the SMILES notation for 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one?
The canonical SMILES for 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one is CO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3nc(C(F)(F)F)nn3c2)cnc2cc(Cl)nn12.
What is the InChIKey of 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one?
The InChIKey is FIVMQTVCKOVELD-VIFPVBQESA-N. The full InChI is InChI=1S/C19H15ClF4N6O2/c1-9(32-2)16-11(7-25-15-6-14(20)27-30(15)16)5-12(31)3-10-4-13(21)17-26-18(19(22,23)24)28-29(17)8-10/h4,6-9H,3,5H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one?
1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one has a molecular weight of 470.81 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[8-fluoro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]propan-2-one is sourced from PubChem (CID 176510913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).