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

C29H24FN5O — CID 25144110

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1)N1CC[C@H](F)C1
InChIInChI=1S/C29H24FN5O/c30-24-9-13-34(18-24)27(36)20-5-3-19(4-6-20)22-15-32-28-33-16-26(35(28)17-22)29(10-11-29)23-7-8-25-21(14-23)2-1-12-31-25/h1-8,12,14-17,24H,9-11,13,18H2/t24-/m0/s1
InChIKeyZVEMGFKJASBFHN-DEOSSOPVSA-N
MW477.54 g/mol
LogP5.21
Rot. Bonds4

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

[(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone (PubChem CID 25144110) has the molecular formula C29H24FN5O and a molecular weight of 477.54 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone
PubChem CID25144110
Molecular FormulaC29H24FN5O
Molecular Weight477.54 g/mol
Exact Mass477.20
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1)N1CC[C@H](F)C1
InChIInChI=1S/C29H24FN5O/c30-24-9-13-34(18-24)27(36)20-5-3-19(4-6-20)22-15-32-28-33-16-26(35(28)17-22)29(10-11-29)23-7-8-25-21(14-23)2-1-12-31-25/h1-8,12,14-17,24H,9-11,13,18H2/t24-/m0/s1
InChIKeyZVEMGFKJASBFHN-DEOSSOPVSA-N
XLogP5.21
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone (CID 25144110) is [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone is O=C(c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1)N1CC[C@H](F)C1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone?
The InChIKey is ZVEMGFKJASBFHN-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H24FN5O/c30-24-9-13-34(18-24)27(36)20-5-3-19(4-6-20)22-15-32-28-33-16-26(35(28)17-22)29(10-11-29)23-7-8-25-21(14-23)2-1-12-31-25/h1-8,12,14-17,24H,9-11,13,18H2/t24-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone has a molecular weight of 477.54 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanone is sourced from PubChem (CID 25144110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).