N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide

C35H46N8O4 — CID 77465660

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cnn(CCN3CCOCC3)c2)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C35H46N8O4/c1-23-16-24(2)39-33(45)29(23)20-36-32(44)28-17-25(26-19-37-42(22-26)11-10-40-12-14-47-15-13-40)18-31-30(28)21-38-43(31)27-6-8-41(9-7-27)34(46)35(3,4)5/h16-19,21-22,27,29H,6-15,20H2,1-5H3,(H,36,44)
InChIKeyJKKWBBXOHSPORW-UHFFFAOYSA-N
MW642.81 g/mol
LogP3.73
Rot. Bonds8

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide (PubChem CID 77465660) has the molecular formula C35H46N8O4 and a molecular weight of 642.81 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide
PubChem CID77465660
Molecular FormulaC35H46N8O4
Molecular Weight642.81 g/mol
Exact Mass642.36
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cnn(CCN3CCOCC3)c2)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C35H46N8O4/c1-23-16-24(2)39-33(45)29(23)20-36-32(44)28-17-25(26-19-37-42(22-26)11-10-40-12-14-47-15-13-40)18-31-30(28)21-38-43(31)27-6-8-41(9-7-27)34(46)35(3,4)5/h16-19,21-22,27,29H,6-15,20H2,1-5H3,(H,36,44)
InChIKeyJKKWBBXOHSPORW-UHFFFAOYSA-N
XLogP3.73
TPSA126.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500642.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide (CID 77465660) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cnn(CCN3CCOCC3)c2)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide?
The InChIKey is JKKWBBXOHSPORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N8O4/c1-23-16-24(2)39-33(45)29(23)20-36-32(44)28-17-25(26-19-37-42(22-26)11-10-40-12-14-47-15-13-40)18-31-30(28)21-38-43(31)27-6-8-41(9-7-27)34(46)35(3,4)5/h16-19,21-22,27,29H,6-15,20H2,1-5H3,(H,36,44).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide has a molecular weight of 642.81 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indazole-4-carboxamide is sourced from PubChem (CID 77465660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).