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

C30H27ClN8 — CID 66877665

IUPAC3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1.Cl
InChIInChI=1S/C30H26N8.ClH/c1-36-17-23-15-22(36)18-37(23)21-7-5-19(6-8-21)27-11-14-32-30-28(24-3-2-4-26-25(24)16-33-34-26)29(35-38(27)30)20-9-12-31-13-10-20;/h2-14,16,22-23H,15,17-18H2,1H3,(H,33,34);1H/t22-,23-;/m0./s1
InChIKeyXZQVRYBYHNBYLG-SJEIDVEUSA-N
MW535.06 g/mol
LogP5.32
Rot. Bonds4

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

3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride (PubChem CID 66877665) has the molecular formula C30H27ClN8 and a molecular weight of 535.06 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride
PubChem CID66877665
Molecular FormulaC30H27ClN8
Molecular Weight535.06 g/mol
Exact Mass534.20
IUPAC Name3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1.Cl
InChIInChI=1S/C30H26N8.ClH/c1-36-17-23-15-22(36)18-37(23)21-7-5-19(6-8-21)27-11-14-32-30-28(24-3-2-4-26-25(24)16-33-34-26)29(35-38(27)30)20-9-12-31-13-10-20;/h2-14,16,22-23H,15,17-18H2,1H3,(H,33,34);1H/t22-,23-;/m0./s1
InChIKeyXZQVRYBYHNBYLG-SJEIDVEUSA-N
XLogP5.32
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.06
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-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-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride?
The IUPAC name of 3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride (CID 66877665) is 3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride.
What is the SMILES notation for 3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride?
The canonical SMILES for 3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride is CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)cc1.Cl.
What is the InChIKey of 3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride?
The InChIKey is XZQVRYBYHNBYLG-SJEIDVEUSA-N. The full InChI is InChI=1S/C30H26N8.ClH/c1-36-17-23-15-22(36)18-37(23)21-7-5-19(6-8-21)27-11-14-32-30-28(24-3-2-4-26-25(24)16-33-34-26)29(35-38(27)30)20-9-12-31-13-10-20;/h2-14,16,22-23H,15,17-18H2,1H3,(H,33,34);1H/t22-,23-;/m0./s1.
What are the key properties of 3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride?
3-(1H-indazol-4-yl)-7-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride has a molecular weight of 535.06 g/mol, XLogP of 5.32, 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-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;hydrochloride is sourced from PubChem (CID 66877665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).