(3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol

C29H26FN5O — CID 25144952

IUPAC(3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)C1
InChIInChI=1S/C29H26FN5O/c30-25-13-19(3-4-21(25)16-34-11-7-24(36)18-34)22-14-32-28-33-15-27(35(28)17-22)29(8-9-29)23-5-6-26-20(12-23)2-1-10-31-26/h1-6,10,12-15,17,24,36H,7-9,11,16,18H2/t24-/m1/s1
InChIKeyXJHHVYGQGNFJKJ-XMMPIXPASA-N
MW479.56 g/mol
LogP4.73
Rot. Bonds5

About (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol

(3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol (PubChem CID 25144952) has the molecular formula C29H26FN5O and a molecular weight of 479.56 g/mol. Its IUPAC name is (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol
PubChem CID25144952
Molecular FormulaC29H26FN5O
Molecular Weight479.56 g/mol
Exact Mass479.21
IUPAC Name(3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(Cc2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)C1
InChIInChI=1S/C29H26FN5O/c30-25-13-19(3-4-21(25)16-34-11-7-24(36)18-34)22-14-32-28-33-15-27(35(28)17-22)29(8-9-29)23-5-6-26-20(12-23)2-1-10-31-26/h1-6,10,12-15,17,24,36H,7-9,11,16,18H2/t24-/m1/s1
InChIKeyXJHHVYGQGNFJKJ-XMMPIXPASA-N
XLogP4.73
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol (CID 25144952) is (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol is O[C@@H]1CCN(Cc2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)C1.
What is the InChIKey of (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is XJHHVYGQGNFJKJ-XMMPIXPASA-N. The full InChI is InChI=1S/C29H26FN5O/c30-25-13-19(3-4-21(25)16-34-11-7-24(36)18-34)22-14-32-28-33-15-27(35(28)17-22)29(8-9-29)23-5-6-26-20(12-23)2-1-10-31-26/h1-6,10,12-15,17,24,36H,7-9,11,16,18H2/t24-/m1/s1.
What are the key properties of (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol?
(3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 479.56 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 25144952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).