5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine

C17H17N7 — CID 71158070

IUPAC5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESC1=C2CCNC2=CCC1Nc1ncc(-c2cn[nH]c2)n2ccnc12
InChIInChI=1S/C17H17N7/c1-2-14-11(3-4-18-14)7-13(1)23-16-17-19-5-6-24(17)15(10-20-16)12-8-21-22-9-12/h2,5-10,13,18H,1,3-4H2,(H,20,23)(H,21,22)
InChIKeyOCWPPKQYJCELJY-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.11
Rot. Bonds3

About 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine

5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 71158070) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID71158070
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESC1=C2CCNC2=CCC1Nc1ncc(-c2cn[nH]c2)n2ccnc12
InChIInChI=1S/C17H17N7/c1-2-14-11(3-4-18-14)7-13(1)23-16-17-19-5-6-24(17)15(10-20-16)12-8-21-22-9-12/h2,5-10,13,18H,1,3-4H2,(H,20,23)(H,21,22)
InChIKeyOCWPPKQYJCELJY-UHFFFAOYSA-N
XLogP2.11
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine (CID 71158070) is 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine is C1=C2CCNC2=CCC1Nc1ncc(-c2cn[nH]c2)n2ccnc12.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OCWPPKQYJCELJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-2-14-11(3-4-18-14)7-13(1)23-16-17-19-5-6-24(17)15(10-20-16)12-8-21-22-9-12/h2,5-10,13,18H,1,3-4H2,(H,20,23)(H,21,22).
What are the key properties of 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine?
5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 319.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-N-(2,3,5,6-tetrahydro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 71158070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).