3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C29H24FN9 — CID 59177958

IUPAC3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cn1
InChIInChI=1S/C29H24FN9/c1-37-15-20-12-19(37)16-38(20)25-5-2-18(13-33-25)24-8-11-32-29-26(21-3-4-23(30)28-22(21)14-34-35-28)27(36-39(24)29)17-6-9-31-10-7-17/h2-11,13-14,19-20H,12,15-16H2,1H3,(H,34,35)/t19-,20-/m1/s1
InChIKeyMRMSTMNYWZXLCD-WOJBJXKFSA-N
MW517.57 g/mol
LogP4.43
Rot. Bonds4

About 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 59177958) has the molecular formula C29H24FN9 and a molecular weight of 517.57 g/mol. Its IUPAC name is 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID59177958
Molecular FormulaC29H24FN9
Molecular Weight517.57 g/mol
Exact Mass517.21
IUPAC Name3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cn1
InChIInChI=1S/C29H24FN9/c1-37-15-20-12-19(37)16-38(20)25-5-2-18(13-33-25)24-8-11-32-29-26(21-3-4-23(30)28-22(21)14-34-35-28)27(36-39(24)29)17-6-9-31-10-7-17/h2-11,13-14,19-20H,12,15-16H2,1H3,(H,34,35)/t19-,20-/m1/s1
InChIKeyMRMSTMNYWZXLCD-WOJBJXKFSA-N
XLogP4.43
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-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

Avapritinib
CID 118023034
Ldn-212854
CID 60182388
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
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
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 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 59177958) is 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CN1C[C@H]2C[C@@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cn1.
What is the InChIKey of 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MRMSTMNYWZXLCD-WOJBJXKFSA-N. The full InChI is InChI=1S/C29H24FN9/c1-37-15-20-12-19(37)16-38(20)25-5-2-18(13-33-25)24-8-11-32-29-26(21-3-4-23(30)28-22(21)14-34-35-28)27(36-39(24)29)17-6-9-31-10-7-17/h2-11,13-14,19-20H,12,15-16H2,1H3,(H,34,35)/t19-,20-/m1/s1.
What are the key properties of 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 517.57 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59177958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).