5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol

C23H26N8O — CID 156887391

IUPAC5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
SMILESCc1cn2cc(-c3ccc(-c4cnc(N5CCN[C@@H](C(C)C)C5)nn4)c(O)c3)ncc2n1
InChIInChI=1S/C23H26N8O/c1-14(2)19-12-30(7-6-24-19)23-26-9-18(28-29-23)17-5-4-16(8-21(17)32)20-13-31-11-15(3)27-22(31)10-25-20/h4-5,8-11,13-14,19,24,32H,6-7,12H2,1-3H3/t19-/m1/s1
InChIKeyWRMIMSICNFPHGM-LJQANCHMSA-N
MW430.52 g/mol
LogP2.70
Rot. Bonds4

About 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol

5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol (PubChem CID 156887391) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
PubChem CID156887391
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
SMILESCc1cn2cc(-c3ccc(-c4cnc(N5CCN[C@@H](C(C)C)C5)nn4)c(O)c3)ncc2n1
InChIInChI=1S/C23H26N8O/c1-14(2)19-12-30(7-6-24-19)23-26-9-18(28-29-23)17-5-4-16(8-21(17)32)20-13-31-11-15(3)27-22(31)10-25-20/h4-5,8-11,13-14,19,24,32H,6-7,12H2,1-3H3/t19-/m1/s1
InChIKeyWRMIMSICNFPHGM-LJQANCHMSA-N
XLogP2.70
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol (CID 156887391) is 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol is Cc1cn2cc(-c3ccc(-c4cnc(N5CCN[C@@H](C(C)C)C5)nn4)c(O)c3)ncc2n1.
What is the InChIKey of 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?
The InChIKey is WRMIMSICNFPHGM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N8O/c1-14(2)19-12-30(7-6-24-19)23-26-9-18(28-29-23)17-5-4-16(8-21(17)32)20-13-31-11-15(3)27-22(31)10-25-20/h4-5,8-11,13-14,19,24,32H,6-7,12H2,1-3H3/t19-/m1/s1.
What are the key properties of 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?
5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol has a molecular weight of 430.52 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylimidazo[1,2-a]pyrazin-6-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 156887391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).