7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C30H24F2N8 — CID 59177963

IUPAC7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1C[C@H]2C[C@@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1
InChIInChI=1S/C30H24F2N8/c1-38-15-20-11-19(38)16-39(20)18-12-23(31)28(24(32)13-18)26-7-10-34-30-27(21-3-2-4-25-22(21)14-35-36-25)29(37-40(26)30)17-5-8-33-9-6-17/h2-10,12-14,19-20H,11,15-16H2,1H3,(H,35,36)/t19-,20-/m1/s1
InChIKeyJCJSAFZMXVQVBR-WOJBJXKFSA-N
MW534.57 g/mol
LogP5.17
Rot. Bonds4

About 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 59177963) has the molecular formula C30H24F2N8 and a molecular weight of 534.57 g/mol. Its IUPAC name is 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID59177963
Molecular FormulaC30H24F2N8
Molecular Weight534.57 g/mol
Exact Mass534.21
IUPAC Name7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1C[C@H]2C[C@@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1
InChIInChI=1S/C30H24F2N8/c1-38-15-20-11-19(38)16-39(20)18-12-23(31)28(24(32)13-18)26-7-10-34-30-27(21-3-2-4-25-22(21)14-35-36-25)29(37-40(26)30)17-5-8-33-9-6-17/h2-10,12-14,19-20H,11,15-16H2,1H3,(H,35,36)/t19-,20-/m1/s1
InChIKeyJCJSAFZMXVQVBR-WOJBJXKFSA-N
XLogP5.17
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.57
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 59177963) is 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CN1C[C@H]2C[C@@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1.
What is the InChIKey of 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JCJSAFZMXVQVBR-WOJBJXKFSA-N. The full InChI is InChI=1S/C30H24F2N8/c1-38-15-20-11-19(38)16-39(20)18-12-23(31)28(24(32)13-18)26-7-10-34-30-27(21-3-2-4-25-22(21)14-35-36-25)29(37-40(26)30)17-5-8-33-9-6-17/h2-10,12-14,19-20H,11,15-16H2,1H3,(H,35,36)/t19-,20-/m1/s1.
What are the key properties of 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 534.57 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,6-difluoro-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59177963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).