9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate

C26H25N3O4 — CID 171886794

IUPAC9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate
SMILESO=C(NCCC(O)C(O)c1cnc2ccccn12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25N3O4/c30-23(25(31)22-15-28-24-11-5-6-14-29(22)24)12-13-27-26(32)33-16-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-11,14-15,21,23,25,30-31H,12-13,16H2,(H,27,32)
InChIKeyPJBMQZHQTRHAJM-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.66
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate

9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate (PubChem CID 171886794) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate
PubChem CID171886794
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate
SMILESO=C(NCCC(O)C(O)c1cnc2ccccn12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25N3O4/c30-23(25(31)22-15-28-24-11-5-6-14-29(22)24)12-13-27-26(32)33-16-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-11,14-15,21,23,25,30-31H,12-13,16H2,(H,27,32)
InChIKeyPJBMQZHQTRHAJM-UHFFFAOYSA-N
XLogP3.66
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylpyrazol-3-yl)butyl]carbamate
CID 171887680
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008
9H-fluoren-9-ylmethyl N-[4-(5,6-dichloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886378
5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzene-1,3-dicarboxylic acid
CID 171887482
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[4-(3-amino-5-fluoro-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886279
9H-fluoren-9-ylmethyl N-[4-(2-ethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886565
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1,3,5-trimethylpyrazol-4-yl)butyl]carbamate
CID 171886290
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-(3-imidazo[1,2-a]pyridin-3-ylprop-2-enyl)carbamate
CID 169469690

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate (CID 171886794) is 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate is O=C(NCCC(O)C(O)c1cnc2ccccn12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate?
The InChIKey is PJBMQZHQTRHAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c30-23(25(31)22-15-28-24-11-5-6-14-29(22)24)12-13-27-26(32)33-16-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-11,14-15,21,23,25,30-31H,12-13,16H2,(H,27,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate?
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate has a molecular weight of 443.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-imidazo[1,2-a]pyridin-3-ylbutyl)carbamate is sourced from PubChem (CID 171886794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).