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

C29H26FN5O2 — CID 59420963

IUPAC2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESCOCC(C)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C29H26FN5O2/c1-18(17-37-2)34-27(36)23-7-5-19(13-24(23)30)21-14-32-28-33-15-26(35(28)16-21)29(9-10-29)22-6-8-25-20(12-22)4-3-11-31-25/h3-8,11-16,18H,9-10,17H2,1-2H3,(H,34,36)
InChIKeyTWBKTDXPPGQLPE-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.93
Rot. Bonds7

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

2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 59420963) has the molecular formula C29H26FN5O2 and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID59420963
Molecular FormulaC29H26FN5O2
Molecular Weight495.56 g/mol
Exact Mass495.21
IUPAC Name2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESCOCC(C)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C29H26FN5O2/c1-18(17-37-2)34-27(36)23-7-5-19(13-24(23)30)21-14-32-28-33-15-26(35(28)16-21)29(9-10-29)22-6-8-25-20(12-22)4-3-11-31-25/h3-8,11-16,18H,9-10,17H2,1-2H3,(H,34,36)
InChIKeyTWBKTDXPPGQLPE-UHFFFAOYSA-N
XLogP4.93
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 59420963) is 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is COCC(C)NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is TWBKTDXPPGQLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O2/c1-18(17-37-2)34-27(36)23-7-5-19(13-24(23)30)21-14-32-28-33-15-26(35(28)16-21)29(9-10-29)22-6-8-25-20(12-22)4-3-11-31-25/h3-8,11-16,18H,9-10,17H2,1-2H3,(H,34,36).
What are the key properties of 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 495.56 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methoxypropan-2-yl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 59420963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).