3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid

C19H29N7O2 — CID 163221712

IUPAC3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid
SMILESNCCCCCCN1CCC(n2cc(-c3cnc(N)c(C(=O)O)n3)cn2)CC1
InChIInChI=1S/C19H29N7O2/c20-7-3-1-2-4-8-25-9-5-15(6-10-25)26-13-14(11-23-26)16-12-22-18(21)17(24-16)19(27)28/h11-13,15H,1-10,20H2,(H2,21,22)(H,27,28)
InChIKeyHMWPHEPQVQNSHG-UHFFFAOYSA-N
MW387.49 g/mol
LogP1.78
Rot. Bonds9

About 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid

3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid (PubChem CID 163221712) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid
PubChem CID163221712
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid
SMILESNCCCCCCN1CCC(n2cc(-c3cnc(N)c(C(=O)O)n3)cn2)CC1
InChIInChI=1S/C19H29N7O2/c20-7-3-1-2-4-8-25-9-5-15(6-10-25)26-13-14(11-23-26)16-12-22-18(21)17(24-16)19(27)28/h11-13,15H,1-10,20H2,(H2,21,22)(H,27,28)
InChIKeyHMWPHEPQVQNSHG-UHFFFAOYSA-N
XLogP1.78
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-[1-[1-[3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid;hydrochloride
CID 163221732
3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid
CID 163221724
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-(3-piperazin-1-ylpropyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate
CID 163221969
[(1R)-1-(2-chlorophenyl)-2-(4-fluoroanilino)-2-oxoethyl] 3-amino-6-[1-[1-(3-piperazin-1-ylpropyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate;hydrochloride
CID 163284482
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate
CID 163221754
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[[4-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate;hydrochloride
CID 163284494
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[[1-(2-piperidin-4-yloxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate;hydrochloride
CID 163284497
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate
CID 163221902
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
CID 67388256
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[2-[1-(7-azaspiro[3.5]nonan-2-yl)piperidin-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate;hydrochloride
CID 163284480
5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one
CID 176978583

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid (CID 163221712) is 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid is NCCCCCCN1CCC(n2cc(-c3cnc(N)c(C(=O)O)n3)cn2)CC1.
What is the InChIKey of 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is HMWPHEPQVQNSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2/c20-7-3-1-2-4-8-25-9-5-15(6-10-25)26-13-14(11-23-26)16-12-22-18(21)17(24-16)19(27)28/h11-13,15H,1-10,20H2,(H2,21,22)(H,27,28).
What are the key properties of 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid?
3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 387.49 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 163221712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).