3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine

C22H30N8O — CID 169303809

IUPAC3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3cnn(C4CCNCC4)c3)c2nc1NC1CCOCC1
InChIInChI=1S/C22H30N8O/c1-2-18-22(27-15-5-9-31-10-6-15)29-19-17(12-25-21(23)20(19)28-18)14-11-26-30(13-14)16-3-7-24-8-4-16/h11-13,15-16,24H,2-10H2,1H3,(H2,23,25)(H,27,29)
InChIKeyBWFFHHCYIAUHHU-UHFFFAOYSA-N
MW422.54 g/mol
LogP2.55
Rot. Bonds5

About 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine

3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine (PubChem CID 169303809) has the molecular formula C22H30N8O and a molecular weight of 422.54 g/mol. Its IUPAC name is 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
PubChem CID169303809
Molecular FormulaC22H30N8O
Molecular Weight422.54 g/mol
Exact Mass422.25
IUPAC Name3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3cnn(C4CCNCC4)c3)c2nc1NC1CCOCC1
InChIInChI=1S/C22H30N8O/c1-2-18-22(27-15-5-9-31-10-6-15)29-19-17(12-25-21(23)20(19)28-18)14-11-26-30(13-14)16-3-7-24-8-4-16/h11-13,15-16,24H,2-10H2,1H3,(H2,23,25)(H,27,29)
InChIKeyBWFFHHCYIAUHHU-UHFFFAOYSA-N
XLogP2.55
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine?
The IUPAC name of 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine (CID 169303809) is 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine.
What is the SMILES notation for 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine?
The canonical SMILES for 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine is CCc1nc2c(N)ncc(-c3cnn(C4CCNCC4)c3)c2nc1NC1CCOCC1.
What is the InChIKey of 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine?
The InChIKey is BWFFHHCYIAUHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O/c1-2-18-22(27-15-5-9-31-10-6-15)29-19-17(12-25-21(23)20(19)28-18)14-11-26-30(13-14)16-3-7-24-8-4-16/h11-13,15-16,24H,2-10H2,1H3,(H2,23,25)(H,27,29).
What are the key properties of 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine?
3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine has a molecular weight of 422.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine is sourced from PubChem (CID 169303809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).