[5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate

C34H45N7O7 — CID 90462391

IUPAC[5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate
SMILESCOc1ccc2c(c1)c(C(=O)N(C)OC)nn2OC(=O)N(C)CCN(C)Cc1nn(C2CCCCO2)c2ccc(C3CCOCC3)cc12
InChIInChI=1S/C34H45N7O7/c1-37(15-16-38(2)34(43)48-41-30-12-10-25(44-4)21-27(30)32(36-41)33(42)39(3)45-5)22-28-26-20-24(23-13-18-46-19-14-23)9-11-29(26)40(35-28)31-8-6-7-17-47-31/h9-12,20-21,23,31H,6-8,13-19,22H2,1-5H3
InChIKeyXIPRWKQZJVNITN-UHFFFAOYSA-N
MW663.78 g/mol
LogP4.23
Rot. Bonds11

About [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate

[5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate (PubChem CID 90462391) has the molecular formula C34H45N7O7 and a molecular weight of 663.78 g/mol. Its IUPAC name is [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate.

Molecular Properties

Compound Name[5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate
PubChem CID90462391
Molecular FormulaC34H45N7O7
Molecular Weight663.78 g/mol
Exact Mass663.34
IUPAC Name[5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate
SMILESCOc1ccc2c(c1)c(C(=O)N(C)OC)nn2OC(=O)N(C)CCN(C)Cc1nn(C2CCCCO2)c2ccc(C3CCOCC3)cc12
InChIInChI=1S/C34H45N7O7/c1-37(15-16-38(2)34(43)48-41-30-12-10-25(44-4)21-27(30)32(36-41)33(42)39(3)45-5)22-28-26-20-24(23-13-18-46-19-14-23)9-11-29(26)40(35-28)31-8-6-7-17-47-31/h9-12,20-21,23,31H,6-8,13-19,22H2,1-5H3
InChIKeyXIPRWKQZJVNITN-UHFFFAOYSA-N
XLogP4.23
TPSA125.65 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate?
The IUPAC name of [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate (CID 90462391) is [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate.
What is the SMILES notation for [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate?
The canonical SMILES for [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate is COc1ccc2c(c1)c(C(=O)N(C)OC)nn2OC(=O)N(C)CCN(C)Cc1nn(C2CCCCO2)c2ccc(C3CCOCC3)cc12.
What is the InChIKey of [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate?
The InChIKey is XIPRWKQZJVNITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N7O7/c1-37(15-16-38(2)34(43)48-41-30-12-10-25(44-4)21-27(30)32(36-41)33(42)39(3)45-5)22-28-26-20-24(23-13-18-46-19-14-23)9-11-29(26)40(35-28)31-8-6-7-17-47-31/h9-12,20-21,23,31H,6-8,13-19,22H2,1-5H3.
What are the key properties of [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate?
[5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate has a molecular weight of 663.78 g/mol, XLogP of 4.23, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-3-[methoxy(methyl)carbamoyl]indazol-1-yl] N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-5-(oxan-4-yl)indazol-3-yl]methyl]amino]ethyl]carbamate is sourced from PubChem (CID 90462391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).