[(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid

C15H20N8O3 — CID 155060205

IUPAC[(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid
SMILESCn1cc(Nc2nc(N3CCC[C@@H](NC(=O)O)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C15H20N8O3/c1-22-7-10(5-18-22)19-14-12(13(16)24)17-6-11(21-14)23-4-2-3-9(8-23)20-15(25)26/h5-7,9,20H,2-4,8H2,1H3,(H2,16,24)(H,19,21)(H,25,26)/t9-/m1/s1
InChIKeyNSSAZVDOZRDNKX-SECBINFHSA-N
MW360.38 g/mol
LogP0.29
Rot. Bonds5

About [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid

[(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid (PubChem CID 155060205) has the molecular formula C15H20N8O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid
PubChem CID155060205
Molecular FormulaC15H20N8O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name[(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid
SMILESCn1cc(Nc2nc(N3CCC[C@@H](NC(=O)O)C3)cnc2C(N)=O)cn1
InChIInChI=1S/C15H20N8O3/c1-22-7-10(5-18-22)19-14-12(13(16)24)17-6-11(21-14)23-4-2-3-9(8-23)20-15(25)26/h5-7,9,20H,2-4,8H2,1H3,(H2,16,24)(H,19,21)(H,25,26)/t9-/m1/s1
InChIKeyNSSAZVDOZRDNKX-SECBINFHSA-N
XLogP0.29
TPSA151.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid (CID 155060205) is [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid is Cn1cc(Nc2nc(N3CCC[C@@H](NC(=O)O)C3)cnc2C(N)=O)cn1.
What is the InChIKey of [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid?
The InChIKey is NSSAZVDOZRDNKX-SECBINFHSA-N. The full InChI is InChI=1S/C15H20N8O3/c1-22-7-10(5-18-22)19-14-12(13(16)24)17-6-11(21-14)23-4-2-3-9(8-23)20-15(25)26/h5-7,9,20H,2-4,8H2,1H3,(H2,16,24)(H,19,21)(H,25,26)/t9-/m1/s1.
What are the key properties of [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid?
[(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid has a molecular weight of 360.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[5-carbamoyl-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 155060205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).