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

C22H26F3N7O2 — CID 86304306

IUPAC2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(COc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C22H26F3N7O2/c1-31(2)14-5-3-13(4-6-14)12-34-16-7-9-27-11-15(16)28-21(33)18-19(26)30-32-10-8-17(22(23,24)25)29-20(18)32/h7-11,13-14H,3-6,12H2,1-2H3,(H2,26,30)(H,28,33)
InChIKeyCPAUFMQFWRYURL-UHFFFAOYSA-N
MW477.49 g/mol
LogP3.48
Rot. Bonds6

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

2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86304306) has the molecular formula C22H26F3N7O2 and a molecular weight of 477.49 g/mol. Its IUPAC name is 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86304306
Molecular FormulaC22H26F3N7O2
Molecular Weight477.49 g/mol
Exact Mass477.21
IUPAC Name2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C1CCC(COc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C22H26F3N7O2/c1-31(2)14-5-3-13(4-6-14)12-34-16-7-9-27-11-15(16)28-21(33)18-19(26)30-32-10-8-17(22(23,24)25)29-20(18)32/h7-11,13-14H,3-6,12H2,1-2H3,(H2,26,30)(H,28,33)
InChIKeyCPAUFMQFWRYURL-UHFFFAOYSA-N
XLogP3.48
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.48
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]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86304306) is 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C1CCC(COc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)CC1.
What is the InChIKey of 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CPAUFMQFWRYURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7O2/c1-31(2)14-5-3-13(4-6-14)12-34-16-7-9-27-11-15(16)28-21(33)18-19(26)30-32-10-8-17(22(23,24)25)29-20(18)32/h7-11,13-14H,3-6,12H2,1-2H3,(H2,26,30)(H,28,33).
What are the key properties of 2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.49 g/mol, XLogP of 3.48, 6 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]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86304306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).