[(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol

C15H20N4O — CID 97223309

IUPAC[(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol
SMILESOC[C@H]1CCCCC[C@H]1Nc1ccc2nccnc2n1
InChIInChI=1S/C15H20N4O/c20-10-11-4-2-1-3-5-12(11)18-14-7-6-13-15(19-14)17-9-8-16-13/h6-9,11-12,20H,1-5,10H2,(H,17,18,19)/t11-,12-/m1/s1
InChIKeyCTVCHAPCJDOOBI-VXGBXAGGSA-N
MW272.35 g/mol
LogP2.38
Rot. Bonds3

About [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol

[(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol (PubChem CID 97223309) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol
PubChem CID97223309
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol
SMILESOC[C@H]1CCCCC[C@H]1Nc1ccc2nccnc2n1
InChIInChI=1S/C15H20N4O/c20-10-11-4-2-1-3-5-12(11)18-14-7-6-13-15(19-14)17-9-8-16-13/h6-9,11-12,20H,1-5,10H2,(H,17,18,19)/t11-,12-/m1/s1
InChIKeyCTVCHAPCJDOOBI-VXGBXAGGSA-N
XLogP2.38
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol?
The IUPAC name of [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol (CID 97223309) is [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol.
What is the SMILES notation for [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol?
The canonical SMILES for [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol is OC[C@H]1CCCCC[C@H]1Nc1ccc2nccnc2n1.
What is the InChIKey of [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol?
The InChIKey is CTVCHAPCJDOOBI-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N4O/c20-10-11-4-2-1-3-5-12(11)18-14-7-6-13-15(19-14)17-9-8-16-13/h6-9,11-12,20H,1-5,10H2,(H,17,18,19)/t11-,12-/m1/s1.
What are the key properties of [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol?
[(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(pyrido[2,3-b]pyrazin-6-ylamino)cycloheptyl]methanol is sourced from PubChem (CID 97223309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).