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

C30H26N8 — CID 59177989

IUPAC3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1
InChIInChI=1S/C30H26N8/c1-36-17-23-15-22(36)18-37(23)21-7-5-19(6-8-21)27-11-14-32-30-28(24-3-2-4-26-25(24)16-33-34-26)29(35-38(27)30)20-9-12-31-13-10-20/h2-14,16,22-23H,15,17-18H2,1H3,(H,33,34)/t22-,23-/m1/s1
InChIKeyPYJKVBOUWSBRRD-DHIUTWEWSA-N
MW498.59 g/mol
LogP4.89
Rot. Bonds4

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

3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 59177989) has the molecular formula C30H26N8 and a molecular weight of 498.59 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID59177989
Molecular FormulaC30H26N8
Molecular Weight498.59 g/mol
Exact Mass498.23
IUPAC Name3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1
InChIInChI=1S/C30H26N8/c1-36-17-23-15-22(36)18-37(23)21-7-5-19(6-8-21)27-11-14-32-30-28(24-3-2-4-26-25(24)16-33-34-26)29(35-38(27)30)20-9-12-31-13-10-20/h2-14,16,22-23H,15,17-18H2,1H3,(H,33,34)/t22-,23-/m1/s1
InChIKeyPYJKVBOUWSBRRD-DHIUTWEWSA-N
XLogP4.89
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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ethyl 3-(3-(7-methyl-1H-indazol-4-yl)-2-(pyridin-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidin-7-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 59177989) is 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1.
What is the InChIKey of 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is PYJKVBOUWSBRRD-DHIUTWEWSA-N. The full InChI is InChI=1S/C30H26N8/c1-36-17-23-15-22(36)18-37(23)21-7-5-19(6-8-21)27-11-14-32-30-28(24-3-2-4-26-25(24)16-33-34-26)29(35-38(27)30)20-9-12-31-13-10-20/h2-14,16,22-23H,15,17-18H2,1H3,(H,33,34)/t22-,23-/m1/s1.
What are the key properties of 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 498.59 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59177989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).