2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19F3N8O2 — CID 90417730

IUPAC2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)Cc1ccc(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)cn1
InChIInChI=1S/C21H19F3N8O2/c1-31(2)11-12-3-4-13(9-27-12)34-15-5-7-26-10-14(15)28-20(33)17-18(25)30-32-8-6-16(21(22,23)24)29-19(17)32/h3-10H,11H2,1-2H3,(H2,25,30)(H,28,33)
InChIKeyMKUBXTAVGPQDME-UHFFFAOYSA-N
MW472.43 g/mol
LogP3.23
Rot. Bonds6

About 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90417730) has the molecular formula C21H19F3N8O2 and a molecular weight of 472.43 g/mol. Its IUPAC name is 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90417730
Molecular FormulaC21H19F3N8O2
Molecular Weight472.43 g/mol
Exact Mass472.16
IUPAC Name2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)Cc1ccc(Oc2ccncc2NC(=O)c2c(N)nn3ccc(C(F)(F)F)nc23)cn1
InChIInChI=1S/C21H19F3N8O2/c1-31(2)11-12-3-4-13(9-27-12)34-15-5-7-26-10-14(15)28-20(33)17-18(25)30-32-8-6-16(21(22,23)24)29-19(17)32/h3-10H,11H2,1-2H3,(H2,25,30)(H,28,33)
InChIKeyMKUBXTAVGPQDME-UHFFFAOYSA-N
XLogP3.23
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90417730) is 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-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)cn1.
What is the InChIKey of 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MKUBXTAVGPQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8O2/c1-31(2)11-12-3-4-13(9-27-12)34-15-5-7-26-10-14(15)28-20(33)17-18(25)30-32-8-6-16(21(22,23)24)29-19(17)32/h3-10H,11H2,1-2H3,(H2,25,30)(H,28,33).
What are the key properties of 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[6-[(dimethylamino)methyl]-3-pyridinyl]oxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90417730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).