N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C26H30N8O2 — CID 118172889

IUPACN-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCN(C)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1
InChIInChI=1S/C26H30N8O2/c1-31(2)21-9-11-33(12-10-21)25(35)17-34-16-18-13-20(7-8-23(18)30-34)28-26(36)24-6-4-5-22(29-24)19-14-27-32(3)15-19/h4-8,13-16,21H,9-12,17H2,1-3H3,(H,28,36)
InChIKeyXUHDGDLMLJVFBP-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.64
Rot. Bonds6

About N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118172889) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118172889
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC NameN-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCN(C)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1
InChIInChI=1S/C26H30N8O2/c1-31(2)21-9-11-33(12-10-21)25(35)17-34-16-18-13-20(7-8-23(18)30-34)28-26(36)24-6-4-5-22(29-24)19-14-27-32(3)15-19/h4-8,13-16,21H,9-12,17H2,1-3H3,(H,28,36)
InChIKeyXUHDGDLMLJVFBP-UHFFFAOYSA-N
XLogP2.64
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 118172889) is N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is CN(C)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)ccc3n2)CC1.
What is the InChIKey of N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is XUHDGDLMLJVFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-31(2)21-9-11-33(12-10-21)25(35)17-34-16-18-13-20(7-8-23(18)30-34)28-26(36)24-6-4-5-22(29-24)19-14-27-32(3)15-19/h4-8,13-16,21H,9-12,17H2,1-3H3,(H,28,36).
What are the key properties of N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118172889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).