9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate

C26H25N3O4 — CID 171886797

IUPAC9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1c[nH]c2ncccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25N3O4/c30-23(24(31)21-14-29-25-20(21)10-5-12-27-25)11-13-28-26(32)33-15-22-18-8-3-1-6-16(18)17-7-2-4-9-19(17)22/h1-10,12,14,22-24,30-31H,11,13,15H2,(H,27,29)(H,28,32)
InChIKeyJSHIYRXXAVPVKB-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.89
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate

9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate (PubChem CID 171886797) 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-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate
PubChem CID171886797
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate
SMILESO=C(NCCC(O)C(O)c1c[nH]c2ncccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H25N3O4/c30-23(24(31)21-14-29-25-20(21)10-5-12-27-25)11-13-28-26(32)33-15-22-18-8-3-1-6-16(18)17-7-2-4-9-19(17)22/h1-10,12,14,22-24,30-31H,11,13,15H2,(H,27,29)(H,28,32)
InChIKeyJSHIYRXXAVPVKB-UHFFFAOYSA-N
XLogP3.89
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-oxo-1H-quinolin-8-yl)butyl]carbamate
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9H-fluoren-9-ylmethyl N-[4-(2-ethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886565
9H-fluoren-9-ylmethyl N-(3,4-dihydroxy-4-quinolin-6-ylbutyl)carbamate
CID 171886846
9H-fluoren-9-ylmethyl N-[4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886389
9H-fluoren-9-ylmethyl N-[4-(2-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886250
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2,4,5-trifluorophenyl)butyl]carbamate
CID 171886450
9H-fluoren-9-ylmethyl N-[4-(3-amino-6-chloropyridazin-4-yl)-3,4-dihydroxybutyl]carbamate
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9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-4-yl)butyl]carbamate
CID 171886870
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylthiophen-3-yl)butyl]carbamate
CID 171886024
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(5-nitro-1H-imidazol-4-yl)butyl]carbamate
CID 171886444
9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate (CID 171886797) is 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate is O=C(NCCC(O)C(O)c1c[nH]c2ncccc12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate?
The InChIKey is JSHIYRXXAVPVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c30-23(24(31)21-14-29-25-20(21)10-5-12-27-25)11-13-28-26(32)33-15-22-18-8-3-1-6-16(18)17-7-2-4-9-19(17)22/h1-10,12,14,22-24,30-31H,11,13,15H2,(H,27,29)(H,28,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate?
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate has a molecular weight of 443.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]carbamate is sourced from PubChem (CID 171886797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).