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

C29H22F2N8 — CID 59177982

IUPAC7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1cc(N2C[C@H]3C[C@@H]2CN3)ccc1-c1ccnc2c(-c3ccc(F)c4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C29H22F2N8/c30-23-4-3-20(22-14-35-36-28(22)23)26-27(16-5-8-32-9-6-16)37-39-25(7-10-33-29(26)39)21-2-1-18(12-24(21)31)38-15-17-11-19(38)13-34-17/h1-10,12,14,17,19,34H,11,13,15H2,(H,35,36)/t17-,19-/m1/s1
InChIKeyCINIVRTWNVDQOI-IEBWSBKVSA-N
MW520.55 g/mol
LogP4.83
Rot. Bonds4

About 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-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-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 59177982) has the molecular formula C29H22F2N8 and a molecular weight of 520.55 g/mol. Its IUPAC name is 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-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-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID59177982
Molecular FormulaC29H22F2N8
Molecular Weight520.55 g/mol
Exact Mass520.19
IUPAC Name7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESFc1cc(N2C[C@H]3C[C@@H]2CN3)ccc1-c1ccnc2c(-c3ccc(F)c4[nH]ncc34)c(-c3ccncc3)nn12
InChIInChI=1S/C29H22F2N8/c30-23-4-3-20(22-14-35-36-28(22)23)26-27(16-5-8-32-9-6-16)37-39-25(7-10-33-29(26)39)21-2-1-18(12-24(21)31)38-15-17-11-19(38)13-34-17/h1-10,12,14,17,19,34H,11,13,15H2,(H,35,36)/t17-,19-/m1/s1
InChIKeyCINIVRTWNVDQOI-IEBWSBKVSA-N
XLogP4.83
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

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4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
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Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
CID 134372959
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-fluoro-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 44227274
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-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 49836539
7-[2-chloro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836540
7-[2-bromo-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836541
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-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 49836748

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-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-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 59177982) is 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-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-fluorophenyl]-3-(7-fluoro-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-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is Fc1cc(N2C[C@H]3C[C@@H]2CN3)ccc1-c1ccnc2c(-c3ccc(F)c4[nH]ncc34)c(-c3ccncc3)nn12.
What is the InChIKey of 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CINIVRTWNVDQOI-IEBWSBKVSA-N. The full InChI is InChI=1S/C29H22F2N8/c30-23-4-3-20(22-14-35-36-28(22)23)26-27(16-5-8-32-9-6-16)37-39-25(7-10-33-29(26)39)21-2-1-18(12-24(21)31)38-15-17-11-19(38)13-34-17/h1-10,12,14,17,19,34H,11,13,15H2,(H,35,36)/t17-,19-/m1/s1.
What are the key properties of 7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-3-(7-fluoro-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-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 520.55 g/mol, XLogP of 4.83, 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-fluorophenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59177982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).