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

C29H25ClFN9 — CID 141252920

IUPAC3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cn1.Cl
InChIInChI=1S/C29H24FN9.ClH/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);1H/t19-,20-;/m0./s1
InChIKeyQOGKTZGCLDDKOQ-FKLPMGAJSA-N
MW554.03 g/mol
LogP4.85
Rot. Bonds4

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

3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride (PubChem CID 141252920) has the molecular formula C29H25ClFN9 and a molecular weight of 554.03 g/mol. Its IUPAC name is 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride
PubChem CID141252920
Molecular FormulaC29H25ClFN9
Molecular Weight554.03 g/mol
Exact Mass553.19
IUPAC Name3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cn1.Cl
InChIInChI=1S/C29H24FN9.ClH/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);1H/t19-,20-;/m0./s1
InChIKeyQOGKTZGCLDDKOQ-FKLPMGAJSA-N
XLogP4.85
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.03
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride?
The IUPAC name of 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride (CID 141252920) is 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride.
What is the SMILES notation for 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride?
The canonical SMILES for 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride is CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5[nH]ncc45)c(-c4ccncc4)nn23)cn1.Cl.
What is the InChIKey of 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride?
The InChIKey is QOGKTZGCLDDKOQ-FKLPMGAJSA-N. The full InChI is InChI=1S/C29H24FN9.ClH/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);1H/t19-,20-;/m0./s1.
What are the key properties of 3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride?
3-(7-fluoro-1H-indazol-4-yl)-7-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride has a molecular weight of 554.03 g/mol, XLogP of 4.85, 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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride is sourced from PubChem (CID 141252920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).