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

C22H20F3N7O2 — CID 90444230

IUPAC2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)Cc1ccc(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)cc1
InChIInChI=1S/C22H20F3N7O2/c1-31(2)12-13-3-5-14(6-4-13)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/h3-11H,12H2,1-2H3,(H2,26,30)(H,28,33)
InChIKeyMPPZUYNQJNDKTM-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.83
Rot. Bonds6

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

2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90444230) has the molecular formula C22H20F3N7O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90444230
Molecular FormulaC22H20F3N7O2
Molecular Weight471.44 g/mol
Exact Mass471.16
IUPAC Name2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)Cc1ccc(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)cc1
InChIInChI=1S/C22H20F3N7O2/c1-31(2)12-13-3-5-14(6-4-13)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/h3-11H,12H2,1-2H3,(H2,26,30)(H,28,33)
InChIKeyMPPZUYNQJNDKTM-UHFFFAOYSA-N
XLogP3.83
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.83
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)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90444230) is 2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)Cc1ccc(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)cc1.
What is the InChIKey of 2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MPPZUYNQJNDKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O2/c1-31(2)12-13-3-5-14(6-4-13)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/h3-11H,12H2,1-2H3,(H2,26,30)(H,28,33).
What are the key properties of 2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 3.83, 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)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90444230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).