7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one

C30H32F3N7O5 — CID 160741669

IUPAC7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2cc(C)nn12.CO[C@@H](C)c1c(CC(=O)Cc2ccnc(C(F)(F)F)c2)cnc2cc(C)nn12
InChIInChI=1S/C19H19F3N4O2.C11H13N3O3/c1-11-6-17-24-10-14(18(12(2)28-3)26(17)25-11)9-15(27)7-13-4-5-23-16(8-13)19(20,21)22;1-6-4-9-12-5-8(11(15)16)10(7(2)17-3)14(9)13-6/h4-6,8,10,12H,7,9H2,1-3H3;4-5,7H,1-3H3,(H,15,16)/t12-;7-/m00/s1
InChIKeyRVRBFWKHGZBQSD-QIUDTCLKSA-N
MW627.62 g/mol
LogP4.96
Rot. Bonds9

About 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one

7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one (PubChem CID 160741669) has the molecular formula C30H32F3N7O5 and a molecular weight of 627.62 g/mol. Its IUPAC name is 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one.

Molecular Properties

Compound Name7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one
PubChem CID160741669
Molecular FormulaC30H32F3N7O5
Molecular Weight627.62 g/mol
Exact Mass627.24
IUPAC Name7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2cc(C)nn12.CO[C@@H](C)c1c(CC(=O)Cc2ccnc(C(F)(F)F)c2)cnc2cc(C)nn12
InChIInChI=1S/C19H19F3N4O2.C11H13N3O3/c1-11-6-17-24-10-14(18(12(2)28-3)26(17)25-11)9-15(27)7-13-4-5-23-16(8-13)19(20,21)22;1-6-4-9-12-5-8(11(15)16)10(7(2)17-3)14(9)13-6/h4-6,8,10,12H,7,9H2,1-3H3;4-5,7H,1-3H3,(H,15,16)/t12-;7-/m00/s1
InChIKeyRVRBFWKHGZBQSD-QIUDTCLKSA-N
XLogP4.96
TPSA146.10 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.62
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one with MolForge

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Related Compounds

Ethyl 3-methyl-1-pyridin-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 3000130
Ethyl 1-phenyl-3,6-dipyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 72204887
US20250092066, Example 4
CID 176510908
US20250092066, Example 11
CID 176510915
US20250092066, Example 13
CID 176510917
US20250092066, Example 24
CID 176510928
US20250092066, Example 26
CID 176510930
US20250092066, Example 27
CID 176510931
US20250092066, Example 28
CID 176510932
US20250092066, Example 45
CID 176510958
US20250092066, Example 46
CID 176510959
US20250092066, Example 47
CID 176510960

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one?
The IUPAC name of 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one (CID 160741669) is 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one.
What is the SMILES notation for 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one?
The canonical SMILES for 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one is CO[C@@H](C)c1c(C(=O)O)cnc2cc(C)nn12.CO[C@@H](C)c1c(CC(=O)Cc2ccnc(C(F)(F)F)c2)cnc2cc(C)nn12.
What is the InChIKey of 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one?
The InChIKey is RVRBFWKHGZBQSD-QIUDTCLKSA-N. The full InChI is InChI=1S/C19H19F3N4O2.C11H13N3O3/c1-11-6-17-24-10-14(18(12(2)28-3)26(17)25-11)9-15(27)7-13-4-5-23-16(8-13)19(20,21)22;1-6-4-9-12-5-8(11(15)16)10(7(2)17-3)14(9)13-6/h4-6,8,10,12H,7,9H2,1-3H3;4-5,7H,1-3H3,(H,15,16)/t12-;7-/m00/s1.
What are the key properties of 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one?
7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one has a molecular weight of 627.62 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one is sourced from PubChem (CID 160741669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).