5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine

C17H21N7O — CID 66556036

IUPAC5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
SMILESCN1CCNC[C@H]1COc1nc(-c2cnn(C)c2)cc2nccnc12
InChIInChI=1S/C17H21N7O/c1-23-6-5-18-9-13(23)11-25-17-16-15(19-3-4-20-16)7-14(22-17)12-8-21-24(2)10-12/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3/t13-/m0/s1
InChIKeyKSBWPNWWWVOGJM-ZDUSSCGKSA-N
MW339.40 g/mol
LogP0.71
Rot. Bonds4

About 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine

5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine (PubChem CID 66556036) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
PubChem CID66556036
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
SMILESCN1CCNC[C@H]1COc1nc(-c2cnn(C)c2)cc2nccnc12
InChIInChI=1S/C17H21N7O/c1-23-6-5-18-9-13(23)11-25-17-16-15(19-3-4-20-16)7-14(22-17)12-8-21-24(2)10-12/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3/t13-/m0/s1
InChIKeyKSBWPNWWWVOGJM-ZDUSSCGKSA-N
XLogP0.71
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine?
The IUPAC name of 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine (CID 66556036) is 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine?
The canonical SMILES for 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine is CN1CCNC[C@H]1COc1nc(-c2cnn(C)c2)cc2nccnc12.
What is the InChIKey of 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine?
The InChIKey is KSBWPNWWWVOGJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N7O/c1-23-6-5-18-9-13(23)11-25-17-16-15(19-3-4-20-16)7-14(22-17)12-8-21-24(2)10-12/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine?
5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine has a molecular weight of 339.40 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine is sourced from PubChem (CID 66556036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).