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

C22H27F3N8O2 — CID 122542170

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N4CCOCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C22H27F3N8O2/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/h6-7,12-13,15,17H,2-5,8-11H2,1H3,(H,27,29)(H,28,34)/t15-,17+/m1/s1
InChIKeyWRTZGTMCPSXTNT-WBVHZDCISA-N
MW492.51 g/mol
LogP2.79
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

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122542170) has the molecular formula C22H27F3N8O2 and a molecular weight of 492.51 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.

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
PubChem CID122542170
Molecular FormulaC22H27F3N8O2
Molecular Weight492.51 g/mol
Exact Mass492.22
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N4CCOCC4)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C22H27F3N8O2/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/h6-7,12-13,15,17H,2-5,8-11H2,1H3,(H,27,29)(H,28,34)/t15-,17+/m1/s1
InChIKeyWRTZGTMCPSXTNT-WBVHZDCISA-N
XLogP2.79
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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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?
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 (CID 122542170) is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
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?
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 is Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N4CCOCC4)nc23)c(C(F)(F)F)n1.
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?
The InChIKey is WRTZGTMCPSXTNT-WBVHZDCISA-N. The full InChI is InChI=1S/C22H27F3N8O2/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/h6-7,12-13,15,17H,2-5,8-11H2,1H3,(H,27,29)(H,28,34)/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?
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(1R,2S)-2-morpholin-4-ylcyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 122542170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).