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

C29H30N8 — CID 74956494

IUPAC7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2c(-c3ccncc3)nn3c(C4CCC(N5CC6CC5CN6)CC4)ccnc23)c2cn[nH]c2c1
InChIInChI=1S/C29H30N8/c1-2-23(24-16-33-34-25(24)3-1)27-28(19-8-11-30-12-9-19)35-37-26(10-13-31-29(27)37)18-4-6-21(7-5-18)36-17-20-14-22(36)15-32-20/h1-3,8-13,16,18,20-22,32H,4-7,14-15,17H2,(H,33,34)
InChIKeyIGEZRHKQPIHLJK-UHFFFAOYSA-N
MW490.62 g/mol
LogP4.41
Rot. Bonds4

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

7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 74956494) has the molecular formula C29H30N8 and a molecular weight of 490.62 g/mol. Its IUPAC name is 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-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-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID74956494
Molecular FormulaC29H30N8
Molecular Weight490.62 g/mol
Exact Mass490.26
IUPAC Name7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESc1cc(-c2c(-c3ccncc3)nn3c(C4CCC(N5CC6CC5CN6)CC4)ccnc23)c2cn[nH]c2c1
InChIInChI=1S/C29H30N8/c1-2-23(24-16-33-34-25(24)3-1)27-28(19-8-11-30-12-9-19)35-37-26(10-13-31-29(27)37)18-4-6-21(7-5-18)36-17-20-14-22(36)15-32-20/h1-3,8-13,16,18,20-22,32H,4-7,14-15,17H2,(H,33,34)
InChIKeyIGEZRHKQPIHLJK-UHFFFAOYSA-N
XLogP4.41
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
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N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
1-[1-({4-[3-phenyl-5-(1H-1,2,4-triazol-3-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11421183
9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
CID 44561737
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
3-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 9952249
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
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
CID 44187005
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
CID 44227271

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-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-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 74956494) is 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-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-yl)cyclohexyl]-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-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is c1cc(-c2c(-c3ccncc3)nn3c(C4CCC(N5CC6CC5CN6)CC4)ccnc23)c2cn[nH]c2c1.
What is the InChIKey of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IGEZRHKQPIHLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8/c1-2-23(24-16-33-34-25(24)3-1)27-28(19-8-11-30-12-9-19)35-37-26(10-13-31-29(27)37)18-4-6-21(7-5-18)36-17-20-14-22(36)15-32-20/h1-3,8-13,16,18,20-22,32H,4-7,14-15,17H2,(H,33,34).
What are the key properties of 7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-[4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 490.62 g/mol, XLogP of 4.41, 4 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-yl)cyclohexyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 74956494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).