[3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C29H24FN5O2 — CID 25145231

IUPAC[3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)c(F)c1)N1CC[C@H](O)C1
InChIInChI=1S/C29H24FN5O2/c30-24-13-19(27(37)34-11-7-22(36)17-34)3-5-23(24)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-18(12-21)2-1-10-31-25/h1-6,10,12-16,22,36H,7-9,11,17H2/t22-/m0/s1
InChIKeyWQWUJPTYRNSLTD-QFIPXVFZSA-N
MW493.54 g/mol
LogP4.37
Rot. Bonds4

About [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 25145231) has the molecular formula C29H24FN5O2 and a molecular weight of 493.54 g/mol. Its IUPAC name is [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID25145231
Molecular FormulaC29H24FN5O2
Molecular Weight493.54 g/mol
Exact Mass493.19
IUPAC Name[3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)c(F)c1)N1CC[C@H](O)C1
InChIInChI=1S/C29H24FN5O2/c30-24-13-19(27(37)34-11-7-22(36)17-34)3-5-23(24)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-18(12-21)2-1-10-31-25/h1-6,10,12-16,22,36H,7-9,11,17H2/t22-/m0/s1
InChIKeyWQWUJPTYRNSLTD-QFIPXVFZSA-N
XLogP4.37
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 25145231) is [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)c(F)c1)N1CC[C@H](O)C1.
What is the InChIKey of [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WQWUJPTYRNSLTD-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H24FN5O2/c30-24-13-19(27(37)34-11-7-22(36)17-34)3-5-23(24)20-14-32-28-33-15-26(35(28)16-20)29(8-9-29)21-4-6-25-18(12-21)2-1-10-31-25/h1-6,10,12-16,22,36H,7-9,11,17H2/t22-/m0/s1.
What are the key properties of [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 493.54 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 25145231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).