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

C31H28N8 — CID 59177995

IUPAC3-(1H-indazol-4-yl)-7-[2-methyl-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2C[C@H]3C[C@@H]2CN3C)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C31H28N8/c1-19-14-21(38-18-22-15-23(38)17-37(22)2)6-7-24(19)28-10-13-33-31-29(25-4-3-5-27-26(25)16-34-35-27)30(36-39(28)31)20-8-11-32-12-9-20/h3-14,16,22-23H,15,17-18H2,1-2H3,(H,34,35)/t22-,23-/m1/s1
InChIKeyOKXYKSQQZLCBJK-DHIUTWEWSA-N
MW512.62 g/mol
LogP5.20
Rot. Bonds4

About 3-(1H-indazol-4-yl)-7-[2-methyl-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-[2-methyl-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 59177995) has the molecular formula C31H28N8 and a molecular weight of 512.62 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)-7-[2-methyl-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-[2-methyl-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID59177995
Molecular FormulaC31H28N8
Molecular Weight512.62 g/mol
Exact Mass512.24
IUPAC Name3-(1H-indazol-4-yl)-7-[2-methyl-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2C[C@H]3C[C@@H]2CN3C)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C31H28N8/c1-19-14-21(38-18-22-15-23(38)17-37(22)2)6-7-24(19)28-10-13-33-31-29(25-4-3-5-27-26(25)16-34-35-27)30(36-39(28)31)20-8-11-32-12-9-20/h3-14,16,22-23H,15,17-18H2,1-2H3,(H,34,35)/t22-,23-/m1/s1
InChIKeyOKXYKSQQZLCBJK-DHIUTWEWSA-N
XLogP5.20
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1H-indazol-4-yl)-7-[2-methyl-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
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
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 46174165
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
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 3-(1H-indazol-4-yl)-7-[2-methyl-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-[2-methyl-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 59177995) is 3-(1H-indazol-4-yl)-7-[2-methyl-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-[2-methyl-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-[2-methyl-4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2C[C@H]3C[C@@H]2CN3C)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12.
What is the InChIKey of 3-(1H-indazol-4-yl)-7-[2-methyl-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 OKXYKSQQZLCBJK-DHIUTWEWSA-N. The full InChI is InChI=1S/C31H28N8/c1-19-14-21(38-18-22-15-23(38)17-37(22)2)6-7-24(19)28-10-13-33-31-29(25-4-3-5-27-26(25)16-34-35-27)30(36-39(28)31)20-8-11-32-12-9-20/h3-14,16,22-23H,15,17-18H2,1-2H3,(H,34,35)/t22-,23-/m1/s1.
What are the key properties of 3-(1H-indazol-4-yl)-7-[2-methyl-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-[2-methyl-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 512.62 g/mol, XLogP of 5.20, 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-[2-methyl-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 59177995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).