cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol

C26H32N6O3 — CID 169303697

IUPACcis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
SMILESCCc1nc2c(N)ncc(-c3ccc(N4CC5CC(C4)O5)c(OC)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C26H32N6O3/c1-3-20-26(29-15-5-6-16(33)9-15)31-23-19(11-28-25(27)24(23)30-20)14-4-7-21(22(8-14)34-2)32-12-17-10-18(13-32)35-17/h4,7-8,11,15-18,33H,3,5-6,9-10,12-13H2,1-2H3,(H2,27,28)(H,29,31)/t15-,16+,17?,18?/m1/s1
InChIKeyVELNOGLEYMJGRF-VEZWFGLTSA-N
MW476.58 g/mol
LogP3.15
Rot. Bonds6

About cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol

cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol (PubChem CID 169303697) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
PubChem CID169303697
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Namecis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol
SMILESCCc1nc2c(N)ncc(-c3ccc(N4CC5CC(C4)O5)c(OC)c3)c2nc1N[C@@H]1CC[C@H](O)C1
InChIInChI=1S/C26H32N6O3/c1-3-20-26(29-15-5-6-16(33)9-15)31-23-19(11-28-25(27)24(23)30-20)14-4-7-21(22(8-14)34-2)32-12-17-10-18(13-32)35-17/h4,7-8,11,15-18,33H,3,5-6,9-10,12-13H2,1-2H3,(H2,27,28)(H,29,31)/t15-,16+,17?,18?/m1/s1
InChIKeyVELNOGLEYMJGRF-VEZWFGLTSA-N
XLogP3.15
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol (CID 169303697) is cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol is CCc1nc2c(N)ncc(-c3ccc(N4CC5CC(C4)O5)c(OC)c3)c2nc1N[C@@H]1CC[C@H](O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
The InChIKey is VELNOGLEYMJGRF-VEZWFGLTSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-3-20-26(29-15-5-6-16(33)9-15)31-23-19(11-28-25(27)24(23)30-20)14-4-7-21(22(8-14)34-2)32-12-17-10-18(13-32)35-17/h4,7-8,11,15-18,33H,3,5-6,9-10,12-13H2,1-2H3,(H2,27,28)(H,29,31)/t15-,16+,17?,18?/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol?
cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol has a molecular weight of 476.58 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[5-amino-3-ethyl-8-[3-methoxy-4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]pyrido[3,4-b]pyrazin-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 169303697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).