N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide

C26H30N8O2 — CID 163227912

IUPACN-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCn1nc(NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C26H30N8O2/c1-32-22(25-28-20-4-2-3-5-21(20)29-25)16-23(31-32)30-26(35)18-6-7-24(27-17-18)34-10-8-19(9-11-34)33-12-14-36-15-13-33/h2-7,16-17,19H,8-15H2,1H3,(H,28,29)(H,30,31,35)
InChIKeyZWAVEUKQJBOMSE-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.91
Rot. Bonds5

About N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 163227912) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID163227912
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCn1nc(NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C26H30N8O2/c1-32-22(25-28-20-4-2-3-5-21(20)29-25)16-23(31-32)30-26(35)18-6-7-24(27-17-18)34-10-8-19(9-11-34)33-12-14-36-15-13-33/h2-7,16-17,19H,8-15H2,1H3,(H,28,29)(H,30,31,35)
InChIKeyZWAVEUKQJBOMSE-UHFFFAOYSA-N
XLogP2.91
TPSA104.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 163227961
N-[5-(4-fluoro-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-methoxypiperidin-1-yl)pyridine-3-carboxamide
CID 163228419
N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-[4-(oxetan-3-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 163228362
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-[2-(2,5-dimethylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 135453096
N-[5-(4-fluoro-6-methoxy-1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(3-methoxyazetidin-1-yl)pyridine-3-carboxamide
CID 163228049
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 163228294
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide
CID 163228324
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 163227977
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-3H-benzimidazol-5-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 143254615

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide (CID 163227912) is N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide is Cn1nc(NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZWAVEUKQJBOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-32-22(25-28-20-4-2-3-5-21(20)29-25)16-23(31-32)30-26(35)18-6-7-24(27-17-18)34-10-8-19(9-11-34)33-12-14-36-15-13-33/h2-7,16-17,19H,8-15H2,1H3,(H,28,29)(H,30,31,35).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 163227912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).