N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C19H25FN6O2 — CID 54582098

IUPACN-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCCF)c1nc(C)nc2c(-c3ccc(OC)nc3)c(C)nn12
InChIInChI=1S/C19H25FN6O2/c1-13-17(15-6-7-16(28-4)21-12-15)18-22-14(2)23-19(26(18)24-13)25(9-5-8-20)10-11-27-3/h6-7,12H,5,8-11H2,1-4H3
InChIKeyBLOMLVIWSNVQDS-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.62
Rot. Bonds9

About N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 54582098) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID54582098
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC NameN-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCOCCN(CCCF)c1nc(C)nc2c(-c3ccc(OC)nc3)c(C)nn12
InChIInChI=1S/C19H25FN6O2/c1-13-17(15-6-7-16(28-4)21-12-15)18-22-14(2)23-19(26(18)24-13)25(9-5-8-20)10-11-27-3/h6-7,12H,5,8-11H2,1-4H3
InChIKeyBLOMLVIWSNVQDS-UHFFFAOYSA-N
XLogP2.62
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 54582098) is N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COCCN(CCCF)c1nc(C)nc2c(-c3ccc(OC)nc3)c(C)nn12.
What is the InChIKey of N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is BLOMLVIWSNVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c1-13-17(15-6-7-16(28-4)21-12-15)18-22-14(2)23-19(26(18)24-13)25(9-5-8-20)10-11-27-3/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 388.45 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-N-(2-methoxyethyl)-8-(6-methoxy-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 54582098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).