2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C30H26FN5O2 — CID 59420951

IUPAC2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C30H26FN5O2/c31-25-14-19(5-7-24(25)28(37)33-16-23-4-2-12-38-23)21-15-34-29-35-17-27(36(29)18-21)30(9-10-30)22-6-8-26-20(13-22)3-1-11-32-26/h1,3,5-8,11,13-15,17-18,23H,2,4,9-10,12,16H2,(H,33,37)
InChIKeyUYFDUXZPLUHWJW-UHFFFAOYSA-N
MW507.57 g/mol
LogP5.07
Rot. Bonds6

About 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 59420951) has the molecular formula C30H26FN5O2 and a molecular weight of 507.57 g/mol. Its IUPAC name is 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID59420951
Molecular FormulaC30H26FN5O2
Molecular Weight507.57 g/mol
Exact Mass507.21
IUPAC Name2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NCC1CCCO1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C30H26FN5O2/c31-25-14-19(5-7-24(25)28(37)33-16-23-4-2-12-38-23)21-15-34-29-35-17-27(36(29)18-21)30(9-10-30)22-6-8-26-20(13-22)3-1-11-32-26/h1,3,5-8,11,13-15,17-18,23H,2,4,9-10,12,16H2,(H,33,37)
InChIKeyUYFDUXZPLUHWJW-UHFFFAOYSA-N
XLogP5.07
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 59420951) is 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is O=C(NCC1CCCO1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is UYFDUXZPLUHWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O2/c31-25-14-19(5-7-24(25)28(37)33-16-23-4-2-12-38-23)21-15-34-29-35-17-27(36(29)18-21)30(9-10-30)22-6-8-26-20(13-22)3-1-11-32-26/h1,3,5-8,11,13-15,17-18,23H,2,4,9-10,12,16H2,(H,33,37).
What are the key properties of 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 507.57 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(oxolan-2-ylmethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 59420951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).