1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol

C26H27FN8O — CID 169265951

IUPAC1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(Nc3ncc(F)c(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cn2)CC1
InChIInChI=1S/C26H27FN8O/c27-21-16-29-25(31-19-4-6-23(28-15-19)34-11-7-20(36)8-12-34)33-24(21)17-3-5-22-18(13-17)14-30-26(32-22)35-9-1-2-10-35/h3-6,13-16,20,36H,1-2,7-12H2,(H,29,31,33)
InChIKeyUVLQUENEHULXBT-UHFFFAOYSA-N
MW486.56 g/mol
LogP3.93
Rot. Bonds5

About 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol

1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol (PubChem CID 169265951) has the molecular formula C26H27FN8O and a molecular weight of 486.56 g/mol. Its IUPAC name is 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol
PubChem CID169265951
Molecular FormulaC26H27FN8O
Molecular Weight486.56 g/mol
Exact Mass486.23
IUPAC Name1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(Nc3ncc(F)c(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cn2)CC1
InChIInChI=1S/C26H27FN8O/c27-21-16-29-25(31-19-4-6-23(28-15-19)34-11-7-20(36)8-12-34)33-24(21)17-3-5-22-18(13-17)14-30-26(32-22)35-9-1-2-10-35/h3-6,13-16,20,36H,1-2,7-12H2,(H,29,31,33)
InChIKeyUVLQUENEHULXBT-UHFFFAOYSA-N
XLogP3.93
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol (CID 169265951) is 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol is OC1CCN(c2ccc(Nc3ncc(F)c(-c4ccc5nc(N6CCCC6)ncc5c4)n3)cn2)CC1.
What is the InChIKey of 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol?
The InChIKey is UVLQUENEHULXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8O/c27-21-16-29-25(31-19-4-6-23(28-15-19)34-11-7-20(36)8-12-34)33-24(21)17-3-5-22-18(13-17)14-30-26(32-22)35-9-1-2-10-35/h3-6,13-16,20,36H,1-2,7-12H2,(H,29,31,33).
What are the key properties of 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol?
1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol has a molecular weight of 486.56 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-fluoro-4-(2-pyrrolidin-1-ylquinazolin-6-yl)pyrimidin-2-yl]amino]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 169265951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).