ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate

C22H24N4O3 — CID 123273300

IUPACethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
SMILESCCOC(=O)NC1Cc2c(n(Cc3ccccn3)c3ccc(C=NOC)cc23)C1
InChIInChI=1S/C22H24N4O3/c1-3-29-22(27)25-17-11-19-18-10-15(13-24-28-2)7-8-20(18)26(21(19)12-17)14-16-6-4-5-9-23-16/h4-10,13,17H,3,11-12,14H2,1-2H3,(H,25,27)
InChIKeyYLQQFSBCPVMUEN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.28
Rot. Bonds6

About ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate

ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate (PubChem CID 123273300) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
PubChem CID123273300
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nameethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
SMILESCCOC(=O)NC1Cc2c(n(Cc3ccccn3)c3ccc(C=NOC)cc23)C1
InChIInChI=1S/C22H24N4O3/c1-3-29-22(27)25-17-11-19-18-10-15(13-24-28-2)7-8-20(18)26(21(19)12-17)14-16-6-4-5-9-23-16/h4-10,13,17H,3,11-12,14H2,1-2H3,(H,25,27)
InChIKeyYLQQFSBCPVMUEN-UHFFFAOYSA-N
XLogP3.28
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate with MolForge

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Related Compounds

2-methylpropyl N-[7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 59242706
ethene;(2S)-2-(prop-1-en-2-ylamino)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indole-7-carbonitrile
CID 142352015
propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate
CID 156811582
molecular iodine;propan-2-yl N-[(2S)-7-cyano-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate;propan-2-yl N-[(2S)-7-cyano-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]carbamate;pyridin-2-ylmethanol;triiodide
CID 160968572
N-[9-[(3-fluorophenyl)methyl]-6-[(E)-methoxyiminomethyl]-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 57479604
[(2S)-4-[(2-amino-3-pyridinyl)methyl]-7-cyano-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamic acid
CID 150832588
ethyl 9-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-3-carboxylate
CID 122187131
propan-2-yl N-[7-cyano-4-[[2-(1,3-dioxoisoindol-2-yl)-3-pyridinyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate
CID 67251093
N-[(3,4-difluorophenyl)methyl]-6-(methoxyiminomethyl)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide
CID 74959745
ethyl 6-methyl-2-oxo-4-piperazin-1-yl-1-(pyridin-2-ylmethyl)quinoline-3-carboxylate
CID 59740514
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
ethyl 5-tert-butyl-1-(pyridin-2-ylmethyl)indole-2-carboxylate
CID 15979366

Frequently Asked Questions

What is the IUPAC name of ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate?
The IUPAC name of ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate (CID 123273300) is ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate?
The canonical SMILES for ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate is CCOC(=O)NC1Cc2c(n(Cc3ccccn3)c3ccc(C=NOC)cc23)C1.
What is the InChIKey of ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate?
The InChIKey is YLQQFSBCPVMUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-22(27)25-17-11-19-18-10-15(13-24-28-2)7-8-20(18)26(21(19)12-17)14-16-6-4-5-9-23-16/h4-10,13,17H,3,11-12,14H2,1-2H3,(H,25,27).
What are the key properties of ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate?
ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate has a molecular weight of 392.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[7-(methoxyiminomethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-2-yl]carbamate is sourced from PubChem (CID 123273300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).