cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate

C24H29N3O3 — CID 141222106

IUPACcyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate
SMILESCOCCCn1nc(CCc2ccccc2)c2ccc(CNC(=O)OC3CC3)cc21
InChIInChI=1S/C24H29N3O3/c1-29-15-5-14-27-23-16-19(17-25-24(28)30-20-10-11-20)8-12-21(23)22(26-27)13-9-18-6-3-2-4-7-18/h2-4,6-8,12,16,20H,5,9-11,13-15,17H2,1H3,(H,25,28)
InChIKeyDUBDWSNPVVXNEX-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.25
Rot. Bonds10

About cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate

cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate (PubChem CID 141222106) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate
PubChem CID141222106
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Namecyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate
SMILESCOCCCn1nc(CCc2ccccc2)c2ccc(CNC(=O)OC3CC3)cc21
InChIInChI=1S/C24H29N3O3/c1-29-15-5-14-27-23-16-19(17-25-24(28)30-20-10-11-20)8-12-21(23)22(26-27)13-9-18-6-3-2-4-7-18/h2-4,6-8,12,16,20H,5,9-11,13-15,17H2,1H3,(H,25,28)
InChIKeyDUBDWSNPVVXNEX-UHFFFAOYSA-N
XLogP4.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate?
The IUPAC name of cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate (CID 141222106) is cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate.
What is the SMILES notation for cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate?
The canonical SMILES for cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate is COCCCn1nc(CCc2ccccc2)c2ccc(CNC(=O)OC3CC3)cc21.
What is the InChIKey of cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate?
The InChIKey is DUBDWSNPVVXNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-29-15-5-14-27-23-16-19(17-25-24(28)30-20-10-11-20)8-12-21(23)22(26-27)13-9-18-6-3-2-4-7-18/h2-4,6-8,12,16,20H,5,9-11,13-15,17H2,1H3,(H,25,28).
What are the key properties of cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate?
cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate has a molecular weight of 407.51 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate is sourced from PubChem (CID 141222106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).