5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine

C23H21FN6O — CID 135376300

IUPAC5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc2c(CCNc3cc(-c4cncc(F)c4)nc4c(C)cnn34)c[nH]c12
InChIInChI=1S/C23H21FN6O/c1-14-10-28-30-21(9-19(29-23(14)30)16-8-17(24)13-25-11-16)26-7-6-15-12-27-22-18(15)4-3-5-20(22)31-2/h3-5,8-13,26-27H,6-7H2,1-2H3
InChIKeyWTFYGQHVSBTTDF-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.38
Rot. Bonds6

About 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine

5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 135376300) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID135376300
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cccc2c(CCNc3cc(-c4cncc(F)c4)nc4c(C)cnn34)c[nH]c12
InChIInChI=1S/C23H21FN6O/c1-14-10-28-30-21(9-19(29-23(14)30)16-8-17(24)13-25-11-16)26-7-6-15-12-27-22-18(15)4-3-5-20(22)31-2/h3-5,8-13,26-27H,6-7H2,1-2H3
InChIKeyWTFYGQHVSBTTDF-UHFFFAOYSA-N
XLogP4.38
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 135376300) is 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1cccc2c(CCNc3cc(-c4cncc(F)c4)nc4c(C)cnn34)c[nH]c12.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WTFYGQHVSBTTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-14-10-28-30-21(9-19(29-23(14)30)16-8-17(24)13-25-11-16)26-7-6-15-12-27-22-18(15)4-3-5-20(22)31-2/h3-5,8-13,26-27H,6-7H2,1-2H3.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 416.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 135376300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).