butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine

C22H38N6O — CID 171838992

IUPACbutane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine
SMILESCC.CCCC.CCCCCCn1ccc2ncc(Nc3cc(OC)n[nH]3)nc21
InChIInChI=1S/C16H22N6O.C4H10.C2H6/c1-3-4-5-6-8-22-9-7-12-16(22)19-14(11-17-12)18-13-10-15(23-2)21-20-13;1-3-4-2;1-2/h7,9-11H,3-6,8H2,1-2H3,(H2,18,19,20,21);3-4H2,1-2H3;1-2H3
InChIKeyZAGMTJYNSYVVRC-UHFFFAOYSA-N
MW402.59 g/mol
LogP6.32
Rot. Bonds9

About butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine

butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine (PubChem CID 171838992) has the molecular formula C22H38N6O and a molecular weight of 402.59 g/mol. Its IUPAC name is butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound Namebutane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine
PubChem CID171838992
Molecular FormulaC22H38N6O
Molecular Weight402.59 g/mol
Exact Mass402.31
IUPAC Namebutane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine
SMILESCC.CCCC.CCCCCCn1ccc2ncc(Nc3cc(OC)n[nH]3)nc21
InChIInChI=1S/C16H22N6O.C4H10.C2H6/c1-3-4-5-6-8-22-9-7-12-16(22)19-14(11-17-12)18-13-10-15(23-2)21-20-13;1-3-4-2;1-2/h7,9-11H,3-6,8H2,1-2H3,(H2,18,19,20,21);3-4H2,1-2H3;1-2H3
InChIKeyZAGMTJYNSYVVRC-UHFFFAOYSA-N
XLogP6.32
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(3-methoxy-1H-pyrazol-5-yl)-5-(pyridazin-3-ylmethyl)pyrrolo[2,3-b]pyrazin-3-amine
CID 171839029
butane;3-chloro-5-hexylpyrrolo[2,3-b]pyrazine
CID 171838959
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(2-fluorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751927
methyl 2-(1-octylpyrrolo[2,3-c]pyridin-5-yl)pyridine-4-carboxylate
CID 135308411
trans-(1R,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclopentan-1-ol
CID 168751938
5-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyrazin-3-amine
CID 175627777
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
5-butyl-2-chloropyrrolo[3,2-d]pyrimidine
CID 123957394
3,5-diethylpyrrolo[2,3-b]pyrazine
CID 166103994
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772

Frequently Asked Questions

What is the IUPAC name of butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine?
The IUPAC name of butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine (CID 171838992) is butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine.
What is the SMILES notation for butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine?
The canonical SMILES for butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine is CC.CCCC.CCCCCCn1ccc2ncc(Nc3cc(OC)n[nH]3)nc21.
What is the InChIKey of butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine?
The InChIKey is ZAGMTJYNSYVVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O.C4H10.C2H6/c1-3-4-5-6-8-22-9-7-12-16(22)19-14(11-17-12)18-13-10-15(23-2)21-20-13;1-3-4-2;1-2/h7,9-11H,3-6,8H2,1-2H3,(H2,18,19,20,21);3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine?
butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine has a molecular weight of 402.59 g/mol, XLogP of 6.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 171838992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).