7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C30H25ClF2N12O2 — CID 87924909

IUPAC7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(Cl)cc2nc(-c3ccco3)nn12.Nc1nc(N2CC3CC2CN3Cc2c(F)cccc2F)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C21H19F2N7O.C9H6ClN5O/c22-15-3-1-4-16(23)14(15)11-28-9-13-7-12(28)10-29(13)18-8-19-25-20(17-5-2-6-31-17)27-30(19)21(24)26-18;10-6-4-7-13-8(5-2-1-3-16-5)14-15(7)9(11)12-6/h1-6,8,12-13H,7,9-11H2,(H2,24,26);1-4H,(H2,11,12)
InChIKeyCKEREHLNYZJTEC-UHFFFAOYSA-N
MW659.06 g/mol
LogP4.33
Rot. Bonds5

About 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 87924909) has the molecular formula C30H25ClF2N12O2 and a molecular weight of 659.06 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID87924909
Molecular FormulaC30H25ClF2N12O2
Molecular Weight659.06 g/mol
Exact Mass658.19
IUPAC Name7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(Cl)cc2nc(-c3ccco3)nn12.Nc1nc(N2CC3CC2CN3Cc2c(F)cccc2F)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C21H19F2N7O.C9H6ClN5O/c22-15-3-1-4-16(23)14(15)11-28-9-13-7-12(28)10-29(13)18-8-19-25-20(17-5-2-6-31-17)27-30(19)21(24)26-18;10-6-4-7-13-8(5-2-1-3-16-5)14-15(7)9(11)12-6/h1-6,8,12-13H,7,9-11H2,(H2,24,26);1-4H,(H2,11,12)
InChIKeyCKEREHLNYZJTEC-UHFFFAOYSA-N
XLogP4.33
TPSA170.96 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.06
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 87924909) is 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(Cl)cc2nc(-c3ccco3)nn12.Nc1nc(N2CC3CC2CN3Cc2c(F)cccc2F)cc2nc(-c3ccco3)nn12.
What is the InChIKey of 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is CKEREHLNYZJTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O.C9H6ClN5O/c22-15-3-1-4-16(23)14(15)11-28-9-13-7-12(28)10-29(13)18-8-19-25-20(17-5-2-6-31-17)27-30(19)21(24)26-18;10-6-4-7-13-8(5-2-1-3-16-5)14-15(7)9(11)12-6/h1-6,8,12-13H,7,9-11H2,(H2,24,26);1-4H,(H2,11,12).
What are the key properties of 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 659.06 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 87924909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).