2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol

C17H18N8O — CID 139321220

IUPAC2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
SMILESNc1ncc(-c2cnn(CCO)c2)nc1NCc1ccc2nccn2c1
InChIInChI=1S/C17H18N8O/c18-16-17(21-7-12-1-2-15-19-3-4-24(15)10-12)23-14(9-20-16)13-8-22-25(11-13)5-6-26/h1-4,8-11,26H,5-7H2,(H2,18,20)(H,21,23)
InChIKeyVCMPECKUCMYVEM-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.17
Rot. Bonds6

About 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol

2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 139321220) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
PubChem CID139321220
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
SMILESNc1ncc(-c2cnn(CCO)c2)nc1NCc1ccc2nccn2c1
InChIInChI=1S/C17H18N8O/c18-16-17(21-7-12-1-2-15-19-3-4-24(15)10-12)23-14(9-20-16)13-8-22-25(11-13)5-6-26/h1-4,8-11,26H,5-7H2,(H2,18,20)(H,21,23)
InChIKeyVCMPECKUCMYVEM-UHFFFAOYSA-N
XLogP1.17
TPSA119.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol (CID 139321220) is 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol is Nc1ncc(-c2cnn(CCO)c2)nc1NCc1ccc2nccn2c1.
What is the InChIKey of 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol?
The InChIKey is VCMPECKUCMYVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c18-16-17(21-7-12-1-2-15-19-3-4-24(15)10-12)23-14(9-20-16)13-8-22-25(11-13)5-6-26/h1-4,8-11,26H,5-7H2,(H2,18,20)(H,21,23).
What are the key properties of 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol?
2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 350.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 139321220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).