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

C25H36N8O — CID 169303750

IUPAC8-[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
SMILESCCc1nc2c(N)ncc(-c3cnn(C4CCN(C(C)CC)CC4)c3)c2nc1N[C@H]1CCOC1
InChIInChI=1S/C25H36N8O/c1-4-16(3)32-9-6-19(7-10-32)33-14-17(12-28-33)20-13-27-24(26)23-22(20)31-25(21(5-2)30-23)29-18-8-11-34-15-18/h12-14,16,18-19H,4-11,15H2,1-3H3,(H2,26,27)(H,29,31)/t16?,18-/m0/s1
InChIKeyBGBBBMGCXZURJF-DAFXYXGESA-N
MW464.62 g/mol
LogP3.67
Rot. Bonds7

About 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

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 (PubChem CID 169303750) has the molecular formula C25H36N8O and a molecular weight of 464.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID169303750
Molecular FormulaC25H36N8O
Molecular Weight464.62 g/mol
Exact Mass464.30
IUPAC Name8-[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
SMILESCCc1nc2c(N)ncc(-c3cnn(C4CCN(C(C)CC)CC4)c3)c2nc1N[C@H]1CCOC1
InChIInChI=1S/C25H36N8O/c1-4-16(3)32-9-6-19(7-10-32)33-14-17(12-28-33)20-13-27-24(26)23-22(20)31-25(21(5-2)30-23)29-18-8-11-34-15-18/h12-14,16,18-19H,4-11,15H2,1-3H3,(H2,26,27)(H,29,31)/t16?,18-/m0/s1
InChIKeyBGBBBMGCXZURJF-DAFXYXGESA-N
XLogP3.67
TPSA107.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-[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-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-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-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]pyrido[3,4-b]pyrazine-2,5-diamine
CID 170364782
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2c(N)ncc(-c3cnn(C4CCN(C(C)CC)CC4)c3)c2nc1N[C@H]1CCOC1.
What is the InChIKey of 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?
The InChIKey is BGBBBMGCXZURJF-DAFXYXGESA-N. The full InChI is InChI=1S/C25H36N8O/c1-4-16(3)32-9-6-19(7-10-32)33-14-17(12-28-33)20-13-27-24(26)23-22(20)31-25(21(5-2)30-23)29-18-8-11-34-15-18/h12-14,16,18-19H,4-11,15H2,1-3H3,(H2,26,27)(H,29,31)/t16?,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 464.62 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169303750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).