[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate

C24H30N4O3 — CID 90645436

IUPAC[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate
SMILESCCNC(=O)OC1CCC(CNc2n[nH]c3cccc(OC)c23)(c2ccccc2)CC1
InChIInChI=1S/C24H30N4O3/c1-3-25-23(29)31-18-12-14-24(15-13-18,17-8-5-4-6-9-17)16-26-22-21-19(27-28-22)10-7-11-20(21)30-2/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)(H2,26,27,28)
InChIKeyWZZPYWCRKLLOTM-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.61
Rot. Bonds7

About [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate

[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate (PubChem CID 90645436) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate
PubChem CID90645436
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate
SMILESCCNC(=O)OC1CCC(CNc2n[nH]c3cccc(OC)c23)(c2ccccc2)CC1
InChIInChI=1S/C24H30N4O3/c1-3-25-23(29)31-18-12-14-24(15-13-18,17-8-5-4-6-9-17)16-26-22-21-19(27-28-22)10-7-11-20(21)30-2/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)(H2,26,27,28)
InChIKeyWZZPYWCRKLLOTM-UHFFFAOYSA-N
XLogP4.61
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate?
The IUPAC name of [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate (CID 90645436) is [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate.
What is the SMILES notation for [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate?
The canonical SMILES for [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate is CCNC(=O)OC1CCC(CNc2n[nH]c3cccc(OC)c23)(c2ccccc2)CC1.
What is the InChIKey of [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate?
The InChIKey is WZZPYWCRKLLOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-3-25-23(29)31-18-12-14-24(15-13-18,17-8-5-4-6-9-17)16-26-22-21-19(27-28-22)10-7-11-20(21)30-2/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)(H2,26,27,28).
What are the key properties of [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate?
[4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate has a molecular weight of 422.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methoxy-1H-indazol-3-yl)amino]methyl]-4-phenylcyclohexyl] N-ethylcarbamate is sourced from PubChem (CID 90645436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).