5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H32N4O2 — CID 25161456

IUPAC5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(C)(C)C1CCc2[nH]nc(C(=O)NCCN3CCOCC3)c2C1
InChIInChI=1S/C19H32N4O2/c1-4-19(2,3)14-5-6-16-15(13-14)17(22-21-16)18(24)20-7-8-23-9-11-25-12-10-23/h14H,4-13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyIWROADFZVPLNBU-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.01
Rot. Bonds6

About 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 25161456) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID25161456
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCCC(C)(C)C1CCc2[nH]nc(C(=O)NCCN3CCOCC3)c2C1
InChIInChI=1S/C19H32N4O2/c1-4-19(2,3)14-5-6-16-15(13-14)17(22-21-16)18(24)20-7-8-23-9-11-25-12-10-23/h14H,4-13H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyIWROADFZVPLNBU-UHFFFAOYSA-N
XLogP2.01
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 25161456) is 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CCC(C)(C)C1CCc2[nH]nc(C(=O)NCCN3CCOCC3)c2C1.
What is the InChIKey of 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is IWROADFZVPLNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-19(2,3)14-5-6-16-15(13-14)17(22-21-16)18(24)20-7-8-23-9-11-25-12-10-23/h14H,4-13H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 25161456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).