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

C35H47N5O4 — CID 138404055

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2cc(-c3ccc(COCCCN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)C(=O)N1
InChIInChI=1S/C35H47N5O4/c1-24-18-25(2)38-35(42)31(24)21-36-34(41)30-19-28(20-33-32(30)22-37-40(33)29-6-3-4-7-29)27-10-8-26(9-11-27)23-44-15-5-12-39-13-16-43-17-14-39/h8-11,19-20,22,24-25,29,31H,3-7,12-18,21,23H2,1-2H3,(H,36,41)(H,38,42)
InChIKeyPJBKONSCKGVSJI-UHFFFAOYSA-N
MW601.79 g/mol
LogP4.95
Rot. Bonds11

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide (PubChem CID 138404055) has the molecular formula C35H47N5O4 and a molecular weight of 601.79 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide
PubChem CID138404055
Molecular FormulaC35H47N5O4
Molecular Weight601.79 g/mol
Exact Mass601.36
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide
SMILESCC1CC(C)C(CNC(=O)c2cc(-c3ccc(COCCCN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)C(=O)N1
InChIInChI=1S/C35H47N5O4/c1-24-18-25(2)38-35(42)31(24)21-36-34(41)30-19-28(20-33-32(30)22-37-40(33)29-6-3-4-7-29)27-10-8-26(9-11-27)23-44-15-5-12-39-13-16-43-17-14-39/h8-11,19-20,22,24-25,29,31H,3-7,12-18,21,23H2,1-2H3,(H,36,41)(H,38,42)
InChIKeyPJBKONSCKGVSJI-UHFFFAOYSA-N
XLogP4.95
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.79
LogP ≤ 54.95
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-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide (CID 138404055) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide is CC1CC(C)C(CNC(=O)c2cc(-c3ccc(COCCCN4CCOCC4)cc3)cc3c2cnn3C2CCCC2)C(=O)N1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide?
The InChIKey is PJBKONSCKGVSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N5O4/c1-24-18-25(2)38-35(42)31(24)21-36-34(41)30-19-28(20-33-32(30)22-37-40(33)29-6-3-4-7-29)27-10-8-26(9-11-27)23-44-15-5-12-39-13-16-43-17-14-39/h8-11,19-20,22,24-25,29,31H,3-7,12-18,21,23H2,1-2H3,(H,36,41)(H,38,42).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide has a molecular weight of 601.79 g/mol, XLogP of 4.95, 11 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-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide is sourced from PubChem (CID 138404055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).