5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine

C30H26F2N10 — CID 58289787

IUPAC5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine
SMILESFc1cc(F)cc(-c2cnc3nnn(Cc4cccc(-c5ncc(-c6cnn(CCN7CCCC7)c6)cn5)c4)c3n2)c1
InChIInChI=1S/C30H26F2N10/c31-25-11-22(12-26(32)13-25)27-17-35-29-30(37-27)42(39-38-29)18-20-4-3-5-21(10-20)28-33-14-23(15-34-28)24-16-36-41(19-24)9-8-40-6-1-2-7-40/h3-5,10-17,19H,1-2,6-9,18H2
InChIKeyDEIUMTGRWQZBET-UHFFFAOYSA-N
MW564.60 g/mol
LogP4.63
Rot. Bonds8

About 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine

5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine (PubChem CID 58289787) has the molecular formula C30H26F2N10 and a molecular weight of 564.60 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine
PubChem CID58289787
Molecular FormulaC30H26F2N10
Molecular Weight564.60 g/mol
Exact Mass564.23
IUPAC Name5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine
SMILESFc1cc(F)cc(-c2cnc3nnn(Cc4cccc(-c5ncc(-c6cnn(CCN7CCCC7)c6)cn5)c4)c3n2)c1
InChIInChI=1S/C30H26F2N10/c31-25-11-22(12-26(32)13-25)27-17-35-29-30(37-27)42(39-38-29)18-20-4-3-5-21(10-20)28-33-14-23(15-34-28)24-16-36-41(19-24)9-8-40-6-1-2-7-40/h3-5,10-17,19H,1-2,6-9,18H2
InChIKeyDEIUMTGRWQZBET-UHFFFAOYSA-N
XLogP4.63
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.60
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine?
The IUPAC name of 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine (CID 58289787) is 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine?
The canonical SMILES for 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine is Fc1cc(F)cc(-c2cnc3nnn(Cc4cccc(-c5ncc(-c6cnn(CCN7CCCC7)c6)cn5)c4)c3n2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine?
The InChIKey is DEIUMTGRWQZBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N10/c31-25-11-22(12-26(32)13-25)27-17-35-29-30(37-27)42(39-38-29)18-20-4-3-5-21(10-20)28-33-14-23(15-34-28)24-16-36-41(19-24)9-8-40-6-1-2-7-40/h3-5,10-17,19H,1-2,6-9,18H2.
What are the key properties of 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine?
5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine has a molecular weight of 564.60 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-3-[[3-[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 58289787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).