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

C18H20F3N7O2 — CID 86302752

IUPAC2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CCCOc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
InChIInChI=1S/C18H20F3N7O2/c1-27(2)7-3-9-30-12-4-6-23-10-11(12)24-17(29)14-15(22)26-28-8-5-13(18(19,20)21)25-16(14)28/h4-6,8,10H,3,7,9H2,1-2H3,(H2,22,26)(H,24,29)
InChIKeySQICRJZPQDZIFJ-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.31
Rot. Bonds7

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

2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86302752) has the molecular formula C18H20F3N7O2 and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86302752
Molecular FormulaC18H20F3N7O2
Molecular Weight423.40 g/mol
Exact Mass423.16
IUPAC Name2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CCCOc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
InChIInChI=1S/C18H20F3N7O2/c1-27(2)7-3-9-30-12-4-6-23-10-11(12)24-17(29)14-15(22)26-28-8-5-13(18(19,20)21)25-16(14)28/h4-6,8,10H,3,7,9H2,1-2H3,(H2,22,26)(H,24,29)
InChIKeySQICRJZPQDZIFJ-UHFFFAOYSA-N
XLogP2.31
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86302752) is 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)CCCOc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.
What is the InChIKey of 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SQICRJZPQDZIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O2/c1-27(2)7-3-9-30-12-4-6-23-10-11(12)24-17(29)14-15(22)26-28-8-5-13(18(19,20)21)25-16(14)28/h4-6,8,10H,3,7,9H2,1-2H3,(H2,22,26)(H,24,29).
What are the key properties of 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86302752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).