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

C30H26N8 — CID 59177996

IUPAC7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2C[C@H]3C[C@@H]2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C30H26N8/c1-18-13-21(37-17-20-14-22(37)15-33-20)5-6-23(18)27-9-12-32-30-28(24-3-2-4-26-25(24)16-34-35-26)29(36-38(27)30)19-7-10-31-11-8-19/h2-13,16,20,22,33H,14-15,17H2,1H3,(H,34,35)/t20-,22-/m1/s1
InChIKeyBPMWQHNXPHOCGY-IFMALSPDSA-N
MW498.59 g/mol
LogP4.86
Rot. Bonds4

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

7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 59177996) has the molecular formula C30H26N8 and a molecular weight of 498.59 g/mol. Its IUPAC name is 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID59177996
Molecular FormulaC30H26N8
Molecular Weight498.59 g/mol
Exact Mass498.23
IUPAC Name7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2C[C@H]3C[C@@H]2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C30H26N8/c1-18-13-21(37-17-20-14-22(37)15-33-20)5-6-23(18)27-9-12-32-30-28(24-3-2-4-26-25(24)16-34-35-26)29(36-38(27)30)19-7-10-31-11-8-19/h2-13,16,20,22,33H,14-15,17H2,1H3,(H,34,35)/t20-,22-/m1/s1
InChIKeyBPMWQHNXPHOCGY-IFMALSPDSA-N
XLogP4.86
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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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
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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
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 59177996) is 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2C[C@H]3C[C@@H]2CN3)ccc1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12.
What is the InChIKey of 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BPMWQHNXPHOCGY-IFMALSPDSA-N. The full InChI is InChI=1S/C30H26N8/c1-18-13-21(37-17-20-14-22(37)15-33-20)5-6-23(18)27-9-12-32-30-28(24-3-2-4-26-25(24)16-34-35-26)29(36-38(27)30)19-7-10-31-11-8-19/h2-13,16,20,22,33H,14-15,17H2,1H3,(H,34,35)/t20-,22-/m1/s1.
What are the key properties of 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 498.59 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylphenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59177996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).