cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol

C15H16N4O2 — CID 155253854

IUPACcis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol
SMILESO[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)C1
InChIInChI=1S/C15H16N4O2/c20-10-2-1-9(7-10)19-13-11-3-4-16-14(11)18-8-12(13)15-17-5-6-21-15/h3-6,8-10,20H,1-2,7H2,(H2,16,18,19)/t9-,10+/m1/s1
InChIKeyNFVVDKNYZISZNO-ZJUUUORDSA-N
MW284.32 g/mol
LogP2.54
Rot. Bonds3

About cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol

cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol (PubChem CID 155253854) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol
PubChem CID155253854
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Namecis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol
SMILESO[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)C1
InChIInChI=1S/C15H16N4O2/c20-10-2-1-9(7-10)19-13-11-3-4-16-14(11)18-8-12(13)15-17-5-6-21-15/h3-6,8-10,20H,1-2,7H2,(H2,16,18,19)/t9-,10+/m1/s1
InChIKeyNFVVDKNYZISZNO-ZJUUUORDSA-N
XLogP2.54
TPSA86.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol (CID 155253854) is cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol is O[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)C1.
What is the InChIKey of cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is NFVVDKNYZISZNO-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-10-2-1-9(7-10)19-13-11-3-4-16-14(11)18-8-12(13)15-17-5-6-21-15/h3-6,8-10,20H,1-2,7H2,(H2,16,18,19)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol?
cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 284.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 155253854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).