3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C28H29N7 — CID 45486224

IUPAC3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)N1C2CCC1CC(c1ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn13)C2
InChIInChI=1S/C28H29N7/c1-17(2)34-20-6-7-21(34)15-19(14-20)25-10-13-30-28-26(22-4-3-5-24-23(22)16-31-32-24)27(33-35(25)28)18-8-11-29-12-9-18/h3-5,8-13,16-17,19-21H,6-7,14-15H2,1-2H3,(H,31,32)
InChIKeyXSRXVRQXSQUEKK-UHFFFAOYSA-N
MW463.59 g/mol
LogP5.45
Rot. Bonds4

About 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 45486224) has the molecular formula C28H29N7 and a molecular weight of 463.59 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID45486224
Molecular FormulaC28H29N7
Molecular Weight463.59 g/mol
Exact Mass463.25
IUPAC Name3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)N1C2CCC1CC(c1ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn13)C2
InChIInChI=1S/C28H29N7/c1-17(2)34-20-6-7-21(34)15-19(14-20)25-10-13-30-28-26(22-4-3-5-24-23(22)16-31-32-24)27(33-35(25)28)18-8-11-29-12-9-18/h3-5,8-13,16-17,19-21H,6-7,14-15H2,1-2H3,(H,31,32)
InChIKeyXSRXVRQXSQUEKK-UHFFFAOYSA-N
XLogP5.45
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 45486224) is 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CC(C)N1C2CCC1CC(c1ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn13)C2.
What is the InChIKey of 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is XSRXVRQXSQUEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7/c1-17(2)34-20-6-7-21(34)15-19(14-20)25-10-13-30-28-26(22-4-3-5-24-23(22)16-31-32-24)27(33-35(25)28)18-8-11-29-12-9-18/h3-5,8-13,16-17,19-21H,6-7,14-15H2,1-2H3,(H,31,32).
What are the key properties of 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 463.59 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yl)-7-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 45486224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).