7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C21H25N5O3 — CID 20604498

IUPAC7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccc(C)cn3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H25N5O3/c1-15-6-7-18(22-14-15)23-21(27)19-16-4-3-5-17(28-2)20(16)26(24-19)9-8-25-10-12-29-13-11-25/h3-7,14H,8-13H2,1-2H3,(H,22,23,27)
InChIKeyLUTUYXQFPRVQOJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.33
Rot. Bonds6

About 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 20604498) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID20604498
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3ccc(C)cn3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C21H25N5O3/c1-15-6-7-18(22-14-15)23-21(27)19-16-4-3-5-17(28-2)20(16)26(24-19)9-8-25-10-12-29-13-11-25/h3-7,14H,8-13H2,1-2H3,(H,22,23,27)
InChIKeyLUTUYXQFPRVQOJ-UHFFFAOYSA-N
XLogP2.33
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 20604498) is 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3ccc(C)cn3)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is LUTUYXQFPRVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15-6-7-18(22-14-15)23-21(27)19-16-4-3-5-17(28-2)20(16)26(24-19)9-8-25-10-12-29-13-11-25/h3-7,14H,8-13H2,1-2H3,(H,22,23,27).
What are the key properties of 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 20604498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).