methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate

C23H25N5O4 — CID 67189904

IUPACmethyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate
SMILESCOC(=O)n1ncc2c(NC(=O)NC3CCc4c3cccc4N3CCOCC3)cccc21
InChIInChI=1S/C23H25N5O4/c1-31-23(30)28-21-7-3-5-18(17(21)14-24-28)25-22(29)26-19-9-8-16-15(19)4-2-6-20(16)27-10-12-32-13-11-27/h2-7,14,19H,8-13H2,1H3,(H2,25,26,29)
InChIKeyUVPSPECMYNRLHF-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.30
Rot. Bonds3

About methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate

methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate (PubChem CID 67189904) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate
PubChem CID67189904
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Namemethyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate
SMILESCOC(=O)n1ncc2c(NC(=O)NC3CCc4c3cccc4N3CCOCC3)cccc21
InChIInChI=1S/C23H25N5O4/c1-31-23(30)28-21-7-3-5-18(17(21)14-24-28)25-22(29)26-19-9-8-16-15(19)4-2-6-20(16)27-10-12-32-13-11-27/h2-7,14,19H,8-13H2,1H3,(H2,25,26,29)
InChIKeyUVPSPECMYNRLHF-UHFFFAOYSA-N
XLogP3.30
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate?
The IUPAC name of methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate (CID 67189904) is methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate?
The canonical SMILES for methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate is COC(=O)n1ncc2c(NC(=O)NC3CCc4c3cccc4N3CCOCC3)cccc21.
What is the InChIKey of methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate?
The InChIKey is UVPSPECMYNRLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-23(30)28-21-7-3-5-18(17(21)14-24-28)25-22(29)26-19-9-8-16-15(19)4-2-6-20(16)27-10-12-32-13-11-27/h2-7,14,19H,8-13H2,1H3,(H2,25,26,29).
What are the key properties of methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate?
methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-morpholin-4-yl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]indazole-1-carboxylate is sourced from PubChem (CID 67189904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).