N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide

C17H23N4O+ — CID 123988732

IUPACN-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide
SMILESC[n+]1cc(C2CC2)nc2c(C(=O)NC3CCCCC3)c[nH]c21
InChIInChI=1S/C17H22N4O/c1-21-10-14(11-7-8-11)20-15-13(9-18-16(15)21)17(22)19-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,19,22)/p+1
InChIKeyBNQYKBMLBAOEDG-UHFFFAOYSA-O
MW299.40 g/mol
LogP2.33
Rot. Bonds3

About N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide

N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide (PubChem CID 123988732) has the molecular formula C17H23N4O+ and a molecular weight of 299.40 g/mol. Its IUPAC name is N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide
PubChem CID123988732
Molecular FormulaC17H23N4O+
Molecular Weight299.40 g/mol
Exact Mass299.19
IUPAC NameN-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide
SMILESC[n+]1cc(C2CC2)nc2c(C(=O)NC3CCCCC3)c[nH]c21
InChIInChI=1S/C17H22N4O/c1-21-10-14(11-7-8-11)20-15-13(9-18-16(15)21)17(22)19-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,19,22)/p+1
InChIKeyBNQYKBMLBAOEDG-UHFFFAOYSA-O
XLogP2.33
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[1-(4,4-difluoropiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide
CID 123159755
2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755864
2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755371
N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673425
N-(2-cyclohexylethyl)-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125149
N-cycloheptyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617086
N-cyclohexyl-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617014
2-chloro-6-cyclobutyl-N-cyclohexylpyrimidine-4-carboxamide;methanol
CID 166481650
2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 144855513
N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755745
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide?
The IUPAC name of N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide (CID 123988732) is N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide?
The canonical SMILES for N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide is C[n+]1cc(C2CC2)nc2c(C(=O)NC3CCCCC3)c[nH]c21.
What is the InChIKey of N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide?
The InChIKey is BNQYKBMLBAOEDG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22N4O/c1-21-10-14(11-7-8-11)20-15-13(9-18-16(15)21)17(22)19-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,19,22)/p+1.
What are the key properties of N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide?
N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide is sourced from PubChem (CID 123988732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).