5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid

C22H19N3O4 — CID 165478045

IUPAC5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2[nH]cnc21
InChIInChI=1S/C22H19N3O4/c26-21(27)17-9-25(10-19-20(17)24-12-23-19)22(28)29-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,12,17-18H,9-11H2,(H,23,24)(H,26,27)
InChIKeyCRHMBNGFYZIHAO-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.34
Rot. Bonds3

About 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid

5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 165478045) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID165478045
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2[nH]cnc21
InChIInChI=1S/C22H19N3O4/c26-21(27)17-9-25(10-19-20(17)24-12-23-19)22(28)29-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,12,17-18H,9-11H2,(H,23,24)(H,26,27)
InChIKeyCRHMBNGFYZIHAO-UHFFFAOYSA-N
XLogP3.34
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid with MolForge

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Related Compounds

(2R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid
CID 166000842
2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 52982914
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-2-carboxylic acid
CID 167737812
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]benzoic acid
CID 154856826
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 71311541
9H-fluoren-9-ylmethyl (4aR,7aS)-6-amino-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 178202530
trans-(1R,2S)-2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 146081972
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid (CID 165478045) is 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid is O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2[nH]cnc21.
What is the InChIKey of 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is CRHMBNGFYZIHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-21(27)17-9-25(10-19-20(17)24-12-23-19)22(28)29-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,12,17-18H,9-11H2,(H,23,24)(H,26,27).
What are the key properties of 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid?
5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 389.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 165478045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).