3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine

C23H32N8O — CID 169303822

IUPAC3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3cnn(C4CCN(CC)CC4)c3)c2nc1N[C@H]1CCOC1
InChIInChI=1S/C23H32N8O/c1-3-19-23(27-16-7-10-32-14-16)29-20-18(12-25-22(24)21(20)28-19)15-11-26-31(13-15)17-5-8-30(4-2)9-6-17/h11-13,16-17H,3-10,14H2,1-2H3,(H2,24,25)(H,27,29)/t16-/m0/s1
InChIKeyFFVJAXDGKFOOGT-INIZCTEOSA-N
MW436.56 g/mol
LogP2.89
Rot. Bonds6

About 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine

3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine (PubChem CID 169303822) has the molecular formula C23H32N8O and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine.

Molecular Properties

Compound Name3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine
PubChem CID169303822
Molecular FormulaC23H32N8O
Molecular Weight436.56 g/mol
Exact Mass436.27
IUPAC Name3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine
SMILESCCc1nc2c(N)ncc(-c3cnn(C4CCN(CC)CC4)c3)c2nc1N[C@H]1CCOC1
InChIInChI=1S/C23H32N8O/c1-3-19-23(27-16-7-10-32-14-16)29-20-18(12-25-22(24)21(20)28-19)15-11-26-31(13-15)17-5-8-30(4-2)9-6-17/h11-13,16-17H,3-10,14H2,1-2H3,(H2,24,25)(H,27,29)/t16-/m0/s1
InChIKeyFFVJAXDGKFOOGT-INIZCTEOSA-N
XLogP2.89
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

8-[1-(1-butan-2-ylpiperidin-4-yl)pyrazol-4-yl]-3-ethyl-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303750
3-ethyl-8-[1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]pyrazol-4-yl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303983
3-ethyl-2-N-(oxan-4-yl)-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303809
4-[4-[4-[5-amino-3-ethyl-2-(oxan-4-ylamino)pyrido[3,4-b]pyrazin-8-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexan-1-ol
CID 169303628
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-(1-piperidin-4-ylpyrazol-4-yl)pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303637
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-[1-(2-methylpropylsulfonyl)piperidin-4-yl]pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303965
cis-(1S,3R)-3-[[5-amino-8-[1-[4,4-bis(ethoxymethyl)cyclohexyl]pyrazol-4-yl]-3-ethylpyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303989
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[1-(oxetan-3-ylmethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
CID 169303894
2-N-cyclopentyl-3-ethyl-8-[1-(4-methylphenyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 170364241
8-[4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]-3-methoxyphenyl]-3-ethyl-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303842
3-ethyl-8-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303924
3-ethyl-8-[2-fluoro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-2-N-(oxan-4-yl)pyrido[3,4-b]pyrazine-2,5-diamine
CID 169303720

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The IUPAC name of 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine (CID 169303822) is 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine.
What is the SMILES notation for 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The canonical SMILES for 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine is CCc1nc2c(N)ncc(-c3cnn(C4CCN(CC)CC4)c3)c2nc1N[C@H]1CCOC1.
What is the InChIKey of 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
The InChIKey is FFVJAXDGKFOOGT-INIZCTEOSA-N. The full InChI is InChI=1S/C23H32N8O/c1-3-19-23(27-16-7-10-32-14-16)29-20-18(12-25-22(24)21(20)28-19)15-11-26-31(13-15)17-5-8-30(4-2)9-6-17/h11-13,16-17H,3-10,14H2,1-2H3,(H2,24,25)(H,27,29)/t16-/m0/s1.
What are the key properties of 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine?
3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine has a molecular weight of 436.56 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-N-[(3S)-oxolan-3-yl]pyrido[3,4-b]pyrazine-2,5-diamine is sourced from PubChem (CID 169303822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).