benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid

C25H21FN4O4 — CID 66968948

IUPACbenzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid
SMILESO=C(Nc1cn2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)c(F)c3)ccc2n1)C1CC1
InChIInChI=1S/C25H21FN4O4/c26-20-12-18(8-10-21(20)30(25(32)33)13-16-4-2-1-3-5-16)34-19-9-11-23-27-22(15-29(23)14-19)28-24(31)17-6-7-17/h1-5,8-12,14-15,17H,6-7,13H2,(H,28,31)(H,32,33)
InChIKeySBPRDXUDTGOXEL-UHFFFAOYSA-N
MW460.47 g/mol
LogP5.30
Rot. Bonds7

About benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid

benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid (PubChem CID 66968948) has the molecular formula C25H21FN4O4 and a molecular weight of 460.47 g/mol. Its IUPAC name is benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid
PubChem CID66968948
Molecular FormulaC25H21FN4O4
Molecular Weight460.47 g/mol
Exact Mass460.15
IUPAC Namebenzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid
SMILESO=C(Nc1cn2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)c(F)c3)ccc2n1)C1CC1
InChIInChI=1S/C25H21FN4O4/c26-20-12-18(8-10-21(20)30(25(32)33)13-16-4-2-1-3-5-16)34-19-9-11-23-27-22(15-29(23)14-19)28-24(31)17-6-7-17/h1-5,8-12,14-15,17H,6-7,13H2,(H,28,31)(H,32,33)
InChIKeySBPRDXUDTGOXEL-UHFFFAOYSA-N
XLogP5.30
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid?
The IUPAC name of benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid (CID 66968948) is benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid.
What is the SMILES notation for benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid?
The canonical SMILES for benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid is O=C(Nc1cn2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)c(F)c3)ccc2n1)C1CC1.
What is the InChIKey of benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid?
The InChIKey is SBPRDXUDTGOXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4/c26-20-12-18(8-10-21(20)30(25(32)33)13-16-4-2-1-3-5-16)34-19-9-11-23-27-22(15-29(23)14-19)28-24(31)17-6-7-17/h1-5,8-12,14-15,17H,6-7,13H2,(H,28,31)(H,32,33).
What are the key properties of benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid?
benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid has a molecular weight of 460.47 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-2-fluorophenyl]carbamic acid is sourced from PubChem (CID 66968948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).