N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide

C26H33N5O2 — CID 69028107

IUPACN-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC(C)CCC3CCN(CC(=O)Nc4ccccc4)CC3)c2c1
InChIInChI=1S/C26H33N5O2/c1-18-8-11-23-22(16-18)25(30-29-23)26(33)27-19(2)9-10-20-12-14-31(15-13-20)17-24(32)28-21-6-4-3-5-7-21/h3-8,11,16,19-20H,9-10,12-15,17H2,1-2H3,(H,27,33)(H,28,32)(H,29,30)
InChIKeyUQMBQXVMIOUSGO-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.12
Rot. Bonds8

About N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide

N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 69028107) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID69028107
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC NameN-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC(C)CCC3CCN(CC(=O)Nc4ccccc4)CC3)c2c1
InChIInChI=1S/C26H33N5O2/c1-18-8-11-23-22(16-18)25(30-29-23)26(33)27-19(2)9-10-20-12-14-31(15-13-20)17-24(32)28-21-6-4-3-5-7-21/h3-8,11,16,19-20H,9-10,12-15,17H2,1-2H3,(H,27,33)(H,28,32)(H,29,30)
InChIKeyUQMBQXVMIOUSGO-UHFFFAOYSA-N
XLogP4.12
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide (CID 69028107) is N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NC(C)CCC3CCN(CC(=O)Nc4ccccc4)CC3)c2c1.
What is the InChIKey of N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is UQMBQXVMIOUSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-18-8-11-23-22(16-18)25(30-29-23)26(33)27-19(2)9-10-20-12-14-31(15-13-20)17-24(32)28-21-6-4-3-5-7-21/h3-8,11,16,19-20H,9-10,12-15,17H2,1-2H3,(H,27,33)(H,28,32)(H,29,30).
What are the key properties of N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide?
N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 69028107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).