9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate

C25H23N3O4 — CID 170834333

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1[nH]nc2ccccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23N3O4/c29-22(24(30)23-19-11-5-6-12-21(19)27-28-23)13-26-25(31)32-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22,24,29-30H,13-14H2,(H,26,31)(H,27,28)
InChIKeyTXOTUPUJNSXXFC-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.50
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate (PubChem CID 170834333) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
PubChem CID170834333
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1[nH]nc2ccccc12)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23N3O4/c29-22(24(30)23-19-11-5-6-12-21(19)27-28-23)13-26-25(31)32-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22,24,29-30H,13-14H2,(H,26,31)(H,27,28)
InChIKeyTXOTUPUJNSXXFC-UHFFFAOYSA-N
XLogP3.50
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(6-nitro-2H-indazol-3-yl)butyl]carbamate
CID 171887794
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 170833562
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[3-(2,4-dioxo-1H-pyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170833857
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170835144
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833908
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate (CID 170834333) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate is O=C(NCC(O)C(O)c1[nH]nc2ccccc12)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate?
The InChIKey is TXOTUPUJNSXXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c29-22(24(30)23-19-11-5-6-12-21(19)27-28-23)13-26-25(31)32-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20,22,24,29-30H,13-14H2,(H,26,31)(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate has a molecular weight of 429.48 g/mol, XLogP of 3.50, 6 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-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate is sourced from PubChem (CID 170834333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).