N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide

C18H20N6O — CID 56823906

IUPACN-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCn1ccc2c(NC(=O)N3CCN(c4cnccn4)CC3)cccc21
InChIInChI=1S/C18H20N6O/c1-22-8-5-14-15(3-2-4-16(14)22)21-18(25)24-11-9-23(10-12-24)17-13-19-6-7-20-17/h2-8,13H,9-12H2,1H3,(H,21,25)
InChIKeyAVTHDAGVNPEBJF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.32
Rot. Bonds2

About N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide

N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 56823906) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID56823906
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCn1ccc2c(NC(=O)N3CCN(c4cnccn4)CC3)cccc21
InChIInChI=1S/C18H20N6O/c1-22-8-5-14-15(3-2-4-16(14)22)21-18(25)24-11-9-23(10-12-24)17-13-19-6-7-20-17/h2-8,13H,9-12H2,1H3,(H,21,25)
InChIKeyAVTHDAGVNPEBJF-UHFFFAOYSA-N
XLogP2.32
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 3737109
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 5102783
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
4-pyrazin-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 136576917
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94119889
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
4-(3-chloro-2-pyridinyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 46182544
(3S)-4-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide
CID 121452493

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 56823906) is N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide is Cn1ccc2c(NC(=O)N3CCN(c4cnccn4)CC3)cccc21.
What is the InChIKey of N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is AVTHDAGVNPEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22-8-5-14-15(3-2-4-16(14)22)21-18(25)24-11-9-23(10-12-24)17-13-19-6-7-20-17/h2-8,13H,9-12H2,1H3,(H,21,25).
What are the key properties of N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-4-yl)-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 56823906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).