N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide

C21H25N7O — CID 167815355

IUPACN-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2cnc(N3CCCNCC3)cn2)c1Cc1ccccc1
InChIInChI=1S/C21H25N7O/c1-27-19(12-16-6-3-2-4-7-16)17(14-25-27)26-21(29)18-13-24-20(15-23-18)28-10-5-8-22-9-11-28/h2-4,6-7,13-15,22H,5,8-12H2,1H3,(H,26,29)
InChIKeyYGZGASVSNUYHPV-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.85
Rot. Bonds5

About N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide

N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide (PubChem CID 167815355) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
PubChem CID167815355
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC NameN-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2cnc(N3CCCNCC3)cn2)c1Cc1ccccc1
InChIInChI=1S/C21H25N7O/c1-27-19(12-16-6-3-2-4-7-16)17(14-25-27)26-21(29)18-13-24-20(15-23-18)28-10-5-8-22-9-11-28/h2-4,6-7,13-15,22H,5,8-12H2,1H3,(H,26,29)
InChIKeyYGZGASVSNUYHPV-UHFFFAOYSA-N
XLogP1.85
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
CID 21072733
5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide
CID 166299507
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 58780359
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CID 109273814
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
5-(1,4-diazepan-1-yl)-N-(1-prop-2-ynylcyclobutyl)pyrazine-2-carboxamide
CID 167745554
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493
5-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109278397
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
[5-(1,4-diazepan-1-yl)pyrazin-2-yl]-[2-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 166276352

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide (CID 167815355) is N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2cnc(N3CCCNCC3)cn2)c1Cc1ccccc1.
What is the InChIKey of N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The InChIKey is YGZGASVSNUYHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-27-19(12-16-6-3-2-4-7-16)17(14-25-27)26-21(29)18-13-24-20(15-23-18)28-10-5-8-22-9-11-28/h2-4,6-7,13-15,22H,5,8-12H2,1H3,(H,26,29).
What are the key properties of N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide?
N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 167815355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).