N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

C20H21N9O — CID 163227860

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCN1CCN(c2cnc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)[nH]n3)cn2)CC1
InChIInChI=1S/C20H21N9O/c1-28-6-8-29(9-7-28)18-12-21-16(11-22-18)20(30)25-17-10-15(26-27-17)19-23-13-4-2-3-5-14(13)24-19/h2-5,10-12H,6-9H2,1H3,(H,23,24)(H2,25,26,27,30)
InChIKeyWPNRUEJFZDKCBP-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.75
Rot. Bonds4

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 163227860) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID163227860
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCN1CCN(c2cnc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)[nH]n3)cn2)CC1
InChIInChI=1S/C20H21N9O/c1-28-6-8-29(9-7-28)18-12-21-16(11-22-18)20(30)25-17-10-15(26-27-17)19-23-13-4-2-3-5-14(13)24-19/h2-5,10-12H,6-9H2,1H3,(H,23,24)(H2,25,26,27,30)
InChIKeyWPNRUEJFZDKCBP-UHFFFAOYSA-N
XLogP1.75
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 163228194
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521
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
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278323
N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278402
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
5-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109278397

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 163227860) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is CN1CCN(c2cnc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)[nH]n3)cn2)CC1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is WPNRUEJFZDKCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-28-6-8-29(9-7-28)18-12-21-16(11-22-18)20(30)25-17-10-15(26-27-17)19-23-13-4-2-3-5-14(13)24-19/h2-5,10-12H,6-9H2,1H3,(H,23,24)(H2,25,26,27,30).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 163227860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).