6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C36H34FN5O4 — CID 90096221

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2CC(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)ccc1F
InChIInChI=1S/C36H34FN5O4/c1-21-16-22(11-13-28(21)37)33-27(9-7-15-38-33)26-12-14-32-40-20-31(34(43)44)42(32)30(26)18-24(41-35(45)46-36(2,3)4)17-23-19-39-29-10-6-5-8-25(23)29/h5-16,19-20,24,39H,17-18H2,1-4H3,(H,41,45)(H,43,44)
InChIKeyBDRPNZGYYCMTGM-UHFFFAOYSA-N
MW619.70 g/mol
LogP7.37
Rot. Bonds8

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 90096221) has the molecular formula C36H34FN5O4 and a molecular weight of 619.70 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID90096221
Molecular FormulaC36H34FN5O4
Molecular Weight619.70 g/mol
Exact Mass619.26
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2CC(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)ccc1F
InChIInChI=1S/C36H34FN5O4/c1-21-16-22(11-13-28(21)37)33-27(9-7-15-38-33)26-12-14-32-40-20-31(34(43)44)42(32)30(26)18-24(41-35(45)46-36(2,3)4)17-23-19-39-29-10-6-5-8-25(23)29/h5-16,19-20,24,39H,17-18H2,1-4H3,(H,41,45)(H,43,44)
InChIKeyBDRPNZGYYCMTGM-UHFFFAOYSA-N
XLogP7.37
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.70
LogP ≤ 57.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 90096221) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2CC(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is BDRPNZGYYCMTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34FN5O4/c1-21-16-22(11-13-28(21)37)33-27(9-7-15-38-33)26-12-14-32-40-20-31(34(43)44)42(32)30(26)18-24(41-35(45)46-36(2,3)4)17-23-19-39-29-10-6-5-8-25(23)29/h5-16,19-20,24,39H,17-18H2,1-4H3,(H,41,45)(H,43,44).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 619.70 g/mol, XLogP of 7.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-5-[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 90096221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).