2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H24F3N7O2 — CID 86302755

IUPAC2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C21H24F3N7O2/c1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31/h7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32)
InChIKeyITAOTOCXDISBKD-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.23
Rot. Bonds5

About 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86302755) has the molecular formula C21H24F3N7O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86302755
Molecular FormulaC21H24F3N7O2
Molecular Weight463.46 g/mol
Exact Mass463.19
IUPAC Name2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C21H24F3N7O2/c1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31/h7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32)
InChIKeyITAOTOCXDISBKD-UHFFFAOYSA-N
XLogP3.23
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86302755) is 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C1CCC(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.
What is the InChIKey of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ITAOTOCXDISBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O2/c1-30(2)12-3-5-13(6-4-12)33-15-7-9-26-11-14(15)27-20(32)17-18(25)29-31-10-8-16(21(22,23)24)28-19(17)31/h7-13H,3-6H2,1-2H3,(H2,25,29)(H,27,32).
What are the key properties of 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86302755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).