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

C27H22FN5O2 — CID 25144950

IUPACmethyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C27H22FN5O2/c1-35-26(34)32-13-19-5-4-17(12-22(19)28)20-14-30-25-31-15-24(33(25)16-20)27(8-9-27)21-6-7-23-18(11-21)3-2-10-29-23/h2-7,10-12,14-16H,8-9,13H2,1H3,(H,32,34)
InChIKeyALTFMXQRPYTJSG-UHFFFAOYSA-N
MW467.50 g/mol
LogP5.02
Rot. Bonds5

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

methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate (PubChem CID 25144950) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate
PubChem CID25144950
Molecular FormulaC27H22FN5O2
Molecular Weight467.50 g/mol
Exact Mass467.18
IUPAC Namemethyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C27H22FN5O2/c1-35-26(34)32-13-19-5-4-17(12-22(19)28)20-14-30-25-31-15-24(33(25)16-20)27(8-9-27)21-6-7-23-18(11-21)3-2-10-29-23/h2-7,10-12,14-16H,8-9,13H2,1H3,(H,32,34)
InChIKeyALTFMXQRPYTJSG-UHFFFAOYSA-N
XLogP5.02
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate (CID 25144950) is methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate is COC(=O)NCc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate?
The InChIKey is ALTFMXQRPYTJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2/c1-35-26(34)32-13-19-5-4-17(12-22(19)28)20-14-30-25-31-15-24(33(25)16-20)27(8-9-27)21-6-7-23-18(11-21)3-2-10-29-23/h2-7,10-12,14-16H,8-9,13H2,1H3,(H,32,34).
What are the key properties of methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate?
methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate has a molecular weight of 467.50 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 25144950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).