1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide

C34H45N5O4 — CID 138404057

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2cc(-c3ccc(COCCN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)C(=O)N1
InChIInChI=1S/C34H45N5O4/c1-23-17-24(2)37-34(41)30(23)20-35-33(40)29-18-27(19-32-31(29)21-36-39(32)28-5-3-4-6-28)26-9-7-25(8-10-26)22-43-16-13-38-11-14-42-15-12-38/h7-10,18-19,21,23-24,28,30H,3-6,11-17,20,22H2,1-2H3,(H,35,40)(H,37,41)
InChIKeySTKWYJUFJZYCJW-UHFFFAOYSA-N
MW587.77 g/mol
LogP4.56
Rot. Bonds10

About 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide

1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide (PubChem CID 138404057) has the molecular formula C34H45N5O4 and a molecular weight of 587.77 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide
PubChem CID138404057
Molecular FormulaC34H45N5O4
Molecular Weight587.77 g/mol
Exact Mass587.35
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2cc(-c3ccc(COCCN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)C(=O)N1
InChIInChI=1S/C34H45N5O4/c1-23-17-24(2)37-34(41)30(23)20-35-33(40)29-18-27(19-32-31(29)21-36-39(32)28-5-3-4-6-28)26-9-7-25(8-10-26)22-43-16-13-38-11-14-42-15-12-38/h7-10,18-19,21,23-24,28,30H,3-6,11-17,20,22H2,1-2H3,(H,35,40)(H,37,41)
InChIKeySTKWYJUFJZYCJW-UHFFFAOYSA-N
XLogP4.56
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.77
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide (CID 138404057) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide is CC1CC(C)C(CNC(=O)c2cc(-c3ccc(COCCN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)C(=O)N1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide?
The InChIKey is STKWYJUFJZYCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N5O4/c1-23-17-24(2)37-34(41)30(23)20-35-33(40)29-18-27(19-32-31(29)21-36-39(32)28-5-3-4-6-28)26-9-7-25(8-10-26)22-43-16-13-38-11-14-42-15-12-38/h7-10,18-19,21,23-24,28,30H,3-6,11-17,20,22H2,1-2H3,(H,35,40)(H,37,41).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide has a molecular weight of 587.77 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide is sourced from PubChem (CID 138404057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).