3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one

C19H18ClF3N4O3 — CID 160988437

IUPAC3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCO[C@H](C)c1c(CC(=O)Cc2cc(C(F)(F)F)cn(C)c2=O)cnc2cc(Cl)nn12
InChIInChI=1S/C19H18ClF3N4O3/c1-10(30-3)17-12(8-24-16-7-15(20)25-27(16)17)6-14(28)5-11-4-13(19(21,22)23)9-26(2)18(11)29/h4,7-10H,5-6H2,1-3H3/t10-/m1/s1
InChIKeyTUHHAXFTNHAQIG-SNVBAGLBSA-N
MW442.83 g/mol
LogP3.16
Rot. Bonds6

About 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one

3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 160988437) has the molecular formula C19H18ClF3N4O3 and a molecular weight of 442.83 g/mol. Its IUPAC name is 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one
PubChem CID160988437
Molecular FormulaC19H18ClF3N4O3
Molecular Weight442.83 g/mol
Exact Mass442.10
IUPAC Name3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one
SMILESCO[C@H](C)c1c(CC(=O)Cc2cc(C(F)(F)F)cn(C)c2=O)cnc2cc(Cl)nn12
InChIInChI=1S/C19H18ClF3N4O3/c1-10(30-3)17-12(8-24-16-7-15(20)25-27(16)17)6-14(28)5-11-4-13(19(21,22)23)9-26(2)18(11)29/h4,7-10H,5-6H2,1-3H3/t10-/m1/s1
InChIKeyTUHHAXFTNHAQIG-SNVBAGLBSA-N
XLogP3.16
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.83
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US20250092066, Example 1
CID 176510905
US20250092066, Example 4
CID 176510908
US20250092066, Example 8
CID 176510912
US20250092066, Example 9
CID 176510913
US20250092066, Example 11
CID 176510915
US20250092066, Example 17
CID 176510921
US20250092066, Example 22
CID 176510926
US20250092066, Example 29
CID 176510933
US20250092066, Example 31
CID 176510935
US20250092066, Example 31a
CID 176510936
US20250092066, Example 31b
CID 176510937
US20250092066, Example 32
CID 176510938

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one (CID 160988437) is 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one is CO[C@H](C)c1c(CC(=O)Cc2cc(C(F)(F)F)cn(C)c2=O)cnc2cc(Cl)nn12.
What is the InChIKey of 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is TUHHAXFTNHAQIG-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H18ClF3N4O3/c1-10(30-3)17-12(8-24-16-7-15(20)25-27(16)17)6-14(28)5-11-4-13(19(21,22)23)9-26(2)18(11)29/h4,7-10H,5-6H2,1-3H3/t10-/m1/s1.
What are the key properties of 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one?
3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 442.83 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-chloro-7-[(1R)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxopropyl]-1-methyl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 160988437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).