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

C28H28Cl2F3N7O5 — CID 159164769

IUPAC2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2cc(Cl)nn12.CO[C@@H](C)c1c(CC(=O)Cc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12.[H][2H]
InChIInChI=1S/C18H16ClF3N4O2.C10H10ClN3O3.H2/c1-10(28-2)17-12(9-24-16-8-15(19)25-26(16)17)7-13(27)5-11-3-4-23-14(6-11)18(20,21)22;1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9;/h3-4,6,8-10H,5,7H2,1-2H3;3-5H,1-2H3,(H,15,16);1H/t10-;5-;/m00./s1/i;;1+1
InChIKeyKKXWGWHGKIMUTF-BBDZKEJBSA-N
MW671.48 g/mol
LogP5.89
Rot. Bonds9

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

2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride (PubChem CID 159164769) has the molecular formula C28H28Cl2F3N7O5 and a molecular weight of 671.48 g/mol. Its IUPAC name is 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride.

Molecular Properties

Compound Name2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride
PubChem CID159164769
Molecular FormulaC28H28Cl2F3N7O5
Molecular Weight671.48 g/mol
Exact Mass670.15
IUPAC Name2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2cc(Cl)nn12.CO[C@@H](C)c1c(CC(=O)Cc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12.[H][2H]
InChIInChI=1S/C18H16ClF3N4O2.C10H10ClN3O3.H2/c1-10(28-2)17-12(9-24-16-8-15(19)25-26(16)17)7-13(27)5-11-3-4-23-14(6-11)18(20,21)22;1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9;/h3-4,6,8-10H,5,7H2,1-2H3;3-5H,1-2H3,(H,15,16);1H/t10-;5-;/m00./s1/i;;1+1
InChIKeyKKXWGWHGKIMUTF-BBDZKEJBSA-N
XLogP5.89
TPSA146.10 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500671.48
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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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 13
CID 176510917
US20250092066, Example 17
CID 176510921
US20250092066, Example 21
CID 176510925
US20250092066, Example 22
CID 176510926
US20250092066, Example 27
CID 176510931
US20250092066, Example 29
CID 176510933
US20250092066, Example 31
CID 176510935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride?
The IUPAC name of 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride (CID 159164769) is 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride.
What is the SMILES notation for 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride?
The canonical SMILES for 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride is CO[C@@H](C)c1c(C(=O)O)cnc2cc(Cl)nn12.CO[C@@H](C)c1c(CC(=O)Cc2ccnc(C(F)(F)F)c2)cnc2cc(Cl)nn12.[H][2H].
What is the InChIKey of 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride?
The InChIKey is KKXWGWHGKIMUTF-BBDZKEJBSA-N. The full InChI is InChI=1S/C18H16ClF3N4O2.C10H10ClN3O3.H2/c1-10(28-2)17-12(9-24-16-8-15(19)25-26(16)17)7-13(27)5-11-3-4-23-14(6-11)18(20,21)22;1-5(17-2)9-6(10(15)16)4-12-8-3-7(11)13-14(8)9;/h3-4,6,8-10H,5,7H2,1-2H3;3-5H,1-2H3,(H,15,16);1H/t10-;5-;/m00./s1/i;;1+1.
What are the key properties of 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride?
2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride has a molecular weight of 671.48 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-[2-chloro-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]propan-2-one;deuterium monohydride is sourced from PubChem (CID 159164769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).