9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate

C26H23N3O2 — CID 170460882

IUPAC9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate
SMILESO=C(NCCC#Cc1cnc2c(c1)CCN2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23N3O2/c30-26(28-13-6-5-7-18-15-19-12-14-27-25(19)29-16-18)31-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-4,8-11,15-16,24H,6,12-14,17H2,(H,27,29)(H,28,30)
InChIKeyWDZIVWKINNVCIU-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.33
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate (PubChem CID 170460882) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate
PubChem CID170460882
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate
SMILESO=C(NCCC#Cc1cnc2c(c1)CCN2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23N3O2/c30-26(28-13-6-5-7-18-15-19-12-14-27-25(19)29-16-18)31-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-4,8-11,15-16,24H,6,12-14,17H2,(H,27,29)(H,28,30)
InChIKeyWDZIVWKINNVCIU-UHFFFAOYSA-N
XLogP4.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[4-(2-chloropyrimidin-5-yl)but-3-ynyl]carbamate
CID 170460165
9H-fluoren-9-ylmethyl N-[4-(2-fluoropyrimidin-5-yl)but-3-ynyl]carbamate
CID 170460166
9H-fluoren-9-ylmethyl N-[4-(6-chloro-5-fluoro-3-pyridinyl)but-3-ynyl]carbamate
CID 170460473
9H-fluoren-9-ylmethyl N-[4-(6-chloro-5-cyano-3-pyridinyl)but-3-ynyl]carbamate
CID 170460691
2-chloro-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-ynyl]pyridine-3-carboxylic acid
CID 170461150
9H-fluoren-9-ylmethyl N-[4-(2-oxo-3H-[1,3]oxazolo[4,5-b]pyridin-6-yl)but-3-ynyl]carbamate
CID 170460933
9H-fluoren-9-ylmethyl N-[4-[2-(dimethylamino)pyrimidin-5-yl]but-3-ynyl]carbamate
CID 170460862
9H-fluoren-9-ylmethyl N-(4-pyrimidin-2-ylbut-3-ynyl)carbamate
CID 170460133
9H-fluoren-9-ylmethyl N-[4-(3-cyanophenyl)but-3-ynyl]carbamate
CID 170460450
methyl 2-chloro-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-1-ynyl]pyridine-3-carboxylate
CID 170461389
9H-fluoren-9-ylmethyl N-[4-(3-oxo-1,2-dihydroinden-5-yl)but-3-ynyl]carbamate
CID 170460919
9H-fluoren-9-ylmethyl N-[4-(6-acetyl-3-pyridinyl)but-3-ynyl]carbamate
CID 170460841

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate (CID 170460882) is 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate is O=C(NCCC#Cc1cnc2c(c1)CCN2)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate?
The InChIKey is WDZIVWKINNVCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-26(28-13-6-5-7-18-15-19-12-14-27-25(19)29-16-18)31-17-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-4,8-11,15-16,24H,6,12-14,17H2,(H,27,29)(H,28,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate has a molecular weight of 409.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-ynyl]carbamate is sourced from PubChem (CID 170460882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).