7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide

C25H36N4O3 — CID 10928335

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12
InChIInChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23-,25+/m1/s1
InChIKeyCPTXZVAIZCMESQ-HGMMTPDKSA-N
MW440.59 g/mol
LogP3.32
Rot. Bonds6

About 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide (PubChem CID 10928335) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
PubChem CID10928335
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12
InChIInChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23-,25+/m1/s1
InChIKeyCPTXZVAIZCMESQ-HGMMTPDKSA-N
XLogP3.32
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide (CID 10928335) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide is COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide?
The InChIKey is CPTXZVAIZCMESQ-HGMMTPDKSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23-,25+/m1/s1.
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide is sourced from PubChem (CID 10928335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).