4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine

C18H19FN4O — CID 86271754

IUPAC4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(F)cc1-c1ncnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C18H19FN4O/c1-24-16-3-2-12(19)8-13(16)17-14-9-15(11-4-6-20-7-5-11)23-18(14)22-10-21-17/h2-3,8-11,20H,4-7H2,1H3,(H,21,22,23)
InChIKeyCQXQTPQYKDPBDR-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.24
Rot. Bonds3

About 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine

4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 86271754) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID86271754
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(F)cc1-c1ncnc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C18H19FN4O/c1-24-16-3-2-12(19)8-13(16)17-14-9-15(11-4-6-20-7-5-11)23-18(14)22-10-21-17/h2-3,8-11,20H,4-7H2,1H3,(H,21,22,23)
InChIKeyCQXQTPQYKDPBDR-UHFFFAOYSA-N
XLogP3.24
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 86271754) is 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine is COc1ccc(F)cc1-c1ncnc2[nH]c(C3CCNCC3)cc12.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is CQXQTPQYKDPBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-24-16-3-2-12(19)8-13(16)17-14-9-15(11-4-6-20-7-5-11)23-18(14)22-10-21-17/h2-3,8-11,20H,4-7H2,1H3,(H,21,22,23).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine?
4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 326.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-6-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 86271754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).