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

C17H20N6O — CID 66556033

IUPAC7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine
SMILESCn1cc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1
InChIInChI=1S/C17H20N6O/c1-23-10-13(9-21-23)14-7-15-16(20-6-5-19-15)17(22-14)24-11-12-3-2-4-18-8-12/h5-7,9-10,12,18H,2-4,8,11H2,1H3/t12-/m0/s1
InChIKeyNYXQIXYXIOVJPB-LBPRGKRZSA-N
MW324.39 g/mol
LogP1.80
Rot. Bonds4

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

7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine (PubChem CID 66556033) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine
PubChem CID66556033
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine
SMILESCn1cc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1
InChIInChI=1S/C17H20N6O/c1-23-10-13(9-21-23)14-7-15-16(20-6-5-19-15)17(22-14)24-11-12-3-2-4-18-8-12/h5-7,9-10,12,18H,2-4,8,11H2,1H3/t12-/m0/s1
InChIKeyNYXQIXYXIOVJPB-LBPRGKRZSA-N
XLogP1.80
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine (CID 66556033) is 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine is Cn1cc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine?
The InChIKey is NYXQIXYXIOVJPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O/c1-23-10-13(9-21-23)14-7-15-16(20-6-5-19-15)17(22-14)24-11-12-3-2-4-18-8-12/h5-7,9-10,12,18H,2-4,8,11H2,1H3/t12-/m0/s1.
What are the key properties of 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine?
7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine has a molecular weight of 324.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 66556033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).