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

C33H43N5O3 — CID 138404048

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
SMILESCc1cc(CN2CCOCC2)ccc1-c1cc(C(=O)NCC2C(=O)NC(C)CC2C)c2cnn(C3CCCC3)c2c1
InChIInChI=1S/C33H43N5O3/c1-21-14-23(3)36-33(40)29(21)18-34-32(39)28-16-25(17-31-30(28)19-35-38(31)26-6-4-5-7-26)27-9-8-24(15-22(27)2)20-37-10-12-41-13-11-37/h8-9,15-17,19,21,23,26,29H,4-7,10-14,18,20H2,1-3H3,(H,34,39)(H,36,40)
InChIKeyAFDFDFQKOBHBDW-UHFFFAOYSA-N
MW557.74 g/mol
LogP4.85
Rot. Bonds7

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide (PubChem CID 138404048) has the molecular formula C33H43N5O3 and a molecular weight of 557.74 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
PubChem CID138404048
Molecular FormulaC33H43N5O3
Molecular Weight557.74 g/mol
Exact Mass557.34
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
SMILESCc1cc(CN2CCOCC2)ccc1-c1cc(C(=O)NCC2C(=O)NC(C)CC2C)c2cnn(C3CCCC3)c2c1
InChIInChI=1S/C33H43N5O3/c1-21-14-23(3)36-33(40)29(21)18-34-32(39)28-16-25(17-31-30(28)19-35-38(31)26-6-4-5-7-26)27-9-8-24(15-22(27)2)20-37-10-12-41-13-11-37/h8-9,15-17,19,21,23,26,29H,4-7,10-14,18,20H2,1-3H3,(H,34,39)(H,36,40)
InChIKeyAFDFDFQKOBHBDW-UHFFFAOYSA-N
XLogP4.85
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.74
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide (CID 138404048) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide is Cc1cc(CN2CCOCC2)ccc1-c1cc(C(=O)NCC2C(=O)NC(C)CC2C)c2cnn(C3CCCC3)c2c1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide?
The InChIKey is AFDFDFQKOBHBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O3/c1-21-14-23(3)36-33(40)29(21)18-34-32(39)28-16-25(17-31-30(28)19-35-38(31)26-6-4-5-7-26)27-9-8-24(15-22(27)2)20-37-10-12-41-13-11-37/h8-9,15-17,19,21,23,26,29H,4-7,10-14,18,20H2,1-3H3,(H,34,39)(H,36,40).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide has a molecular weight of 557.74 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[2-methyl-4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide is sourced from PubChem (CID 138404048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).