6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid

C18H22N6O3 — CID 118788133

IUPAC6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)n1
InChIInChI=1S/C18H22N6O3/c25-17(12-3-1-2-4-12)20-8-13-7-14-11-23(5-6-24(14)22-13)16-10-19-9-15(21-16)18(26)27/h7,9-10,12H,1-6,8,11H2,(H,20,25)(H,26,27)
InChIKeySGJXQFFOOLOHIQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.20
Rot. Bonds5

About 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid

6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid (PubChem CID 118788133) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid
PubChem CID118788133
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)n1
InChIInChI=1S/C18H22N6O3/c25-17(12-3-1-2-4-12)20-8-13-7-14-11-23(5-6-24(14)22-13)16-10-19-9-15(21-16)18(26)27/h7,9-10,12H,1-6,8,11H2,(H,20,25)(H,26,27)
InChIKeySGJXQFFOOLOHIQ-UHFFFAOYSA-N
XLogP1.20
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid (CID 118788133) is 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)n1.
What is the InChIKey of 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid?
The InChIKey is SGJXQFFOOLOHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c25-17(12-3-1-2-4-12)20-8-13-7-14-11-23(5-6-24(14)22-13)16-10-19-9-15(21-16)18(26)27/h7,9-10,12H,1-6,8,11H2,(H,20,25)(H,26,27).
What are the key properties of 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid?
6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(cyclopentanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 118788133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).