7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C30H25FN8 — CID 68666105

IUPAC7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1cc(CN2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C30H25FN8/c31-25-12-18(16-38-17-20-13-21(38)14-34-20)4-5-23(25)27-8-11-33-30-28(22-2-1-3-26-24(22)15-35-36-26)29(37-39(27)30)19-6-9-32-10-7-19/h1-12,15,20-21,34H,13-14,16-17H2,(H,35,36)
InChIKeyFURYWGSNGWSUIY-UHFFFAOYSA-N
MW516.58 g/mol
LogP4.69
Rot. Bonds5

About 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 68666105) has the molecular formula C30H25FN8 and a molecular weight of 516.58 g/mol. Its IUPAC name is 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID68666105
Molecular FormulaC30H25FN8
Molecular Weight516.58 g/mol
Exact Mass516.22
IUPAC Name7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1cc(CN2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C30H25FN8/c31-25-12-18(16-38-17-20-13-21(38)14-34-20)4-5-23(25)27-8-11-33-30-28(22-2-1-3-26-24(22)15-35-36-26)29(37-39(27)30)19-6-9-32-10-7-19/h1-12,15,20-21,34H,13-14,16-17H2,(H,35,36)
InChIKeyFURYWGSNGWSUIY-UHFFFAOYSA-N
XLogP4.69
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-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-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 68666105) is 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Fc1cc(CN2CC3CC2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12.
What is the InChIKey of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FURYWGSNGWSUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN8/c31-25-12-18(16-38-17-20-13-21(38)14-34-20)4-5-23(25)27-8-11-33-30-28(22-2-1-3-26-24(22)15-35-36-26)29(37-39(27)30)19-6-9-32-10-7-19/h1-12,15,20-21,34H,13-14,16-17H2,(H,35,36).
What are the key properties of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 516.58 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-2-fluorophenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68666105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).