N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H28F6N8O4 — CID 134263182

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N4CCOCC4)nc23)c(C(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H27F3N8O2.C2HF3O2/c1-31-13-16(19(30-31)22(23,24)25)28-21(34)14-12-26-33-7-6-18(29-20(14)33)27-15-4-2-3-5-17(15)32-8-10-35-11-9-32;3-2(4,5)1(6)7/h6-7,12-13,15,17H,2-5,8-11H2,1H3,(H,27,29)(H,28,34);(H,6,7)/t15-,17+;/m1./s1
InChIKeyDRAFJPUMNZLXTD-KALLACGZSA-N
MW606.53 g/mol
LogP3.42
Rot. Bonds5

About N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 134263182) has the molecular formula C24H28F6N8O4 and a molecular weight of 606.53 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID134263182
Molecular FormulaC24H28F6N8O4
Molecular Weight606.53 g/mol
Exact Mass606.21
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N4CCOCC4)nc23)c(C(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H27F3N8O2.C2HF3O2/c1-31-13-16(19(30-31)22(23,24)25)28-21(34)14-12-26-33-7-6-18(29-20(14)33)27-15-4-2-3-5-17(15)32-8-10-35-11-9-32;3-2(4,5)1(6)7/h6-7,12-13,15,17H,2-5,8-11H2,1H3,(H,27,29)(H,28,34);(H,6,7)/t15-,17+;/m1./s1
InChIKeyDRAFJPUMNZLXTD-KALLACGZSA-N
XLogP3.42
TPSA138.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.53
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 134263182) is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N4CCOCC4)nc23)c(C(F)(F)F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DRAFJPUMNZLXTD-KALLACGZSA-N. The full InChI is InChI=1S/C22H27F3N8O2.C2HF3O2/c1-31-13-16(19(30-31)22(23,24)25)28-21(34)14-12-26-33-7-6-18(29-20(14)33)27-15-4-2-3-5-17(15)32-8-10-35-11-9-32;3-2(4,5)1(6)7/h6-7,12-13,15,17H,2-5,8-11H2,1H3,(H,27,29)(H,28,34);(H,6,7)/t15-,17+;/m1./s1.
What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 606.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134263182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).