4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide

C23H25N9O2 — CID 67389562

IUPAC4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cn1
InChIInChI=1S/C23H25N9O2/c1-13(2)30-9-17-6-16(30)10-31(17)20-4-3-15(7-25-20)29-22-23-27-12-28-32(23)18(8-26-22)14-5-19(21(24)33)34-11-14/h3-5,7-8,11-13,16-17H,6,9-10H2,1-2H3,(H2,24,33)(H,26,29)/t16-,17-/m0/s1
InChIKeyGLPWPJGFDUOPBI-IRXDYDNUSA-N
MW459.51 g/mol
LogP2.29
Rot. Bonds6

About 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide

4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide (PubChem CID 67389562) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
PubChem CID67389562
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cn1
InChIInChI=1S/C23H25N9O2/c1-13(2)30-9-17-6-16(30)10-31(17)20-4-3-15(7-25-20)29-22-23-27-12-28-32(23)18(8-26-22)14-5-19(21(24)33)34-11-14/h3-5,7-8,11-13,16-17H,6,9-10H2,1-2H3,(H2,24,33)(H,26,29)/t16-,17-/m0/s1
InChIKeyGLPWPJGFDUOPBI-IRXDYDNUSA-N
XLogP2.29
TPSA130.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide?
The IUPAC name of 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide (CID 67389562) is 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide.
What is the SMILES notation for 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide?
The canonical SMILES for 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide is CC(C)N1C[C@@H]2C[C@H]1CN2c1ccc(Nc2ncc(-c3coc(C(N)=O)c3)n3ncnc23)cn1.
What is the InChIKey of 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide?
The InChIKey is GLPWPJGFDUOPBI-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-13(2)30-9-17-6-16(30)10-31(17)20-4-3-15(7-25-20)29-22-23-27-12-28-32(23)18(8-26-22)14-5-19(21(24)33)34-11-14/h3-5,7-8,11-13,16-17H,6,9-10H2,1-2H3,(H2,24,33)(H,26,29)/t16-,17-/m0/s1.
What are the key properties of 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide?
4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 67389562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).