N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide

C24H20FN7O3 — CID 18570158

IUPACN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN7O3/c1-14-8-21(29-24(33)15-9-18(34-2)11-19(10-15)35-3)32(30-14)23-20-12-28-31(22(20)26-13-27-23)17-6-4-16(25)5-7-17/h4-13H,1-3H3,(H,29,33)
InChIKeyNSLUEGSEKGNQQY-UHFFFAOYSA-N
MW473.47 g/mol
LogP3.72
Rot. Bonds6

About N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide (PubChem CID 18570158) has the molecular formula C24H20FN7O3 and a molecular weight of 473.47 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
PubChem CID18570158
Molecular FormulaC24H20FN7O3
Molecular Weight473.47 g/mol
Exact Mass473.16
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN7O3/c1-14-8-21(29-24(33)15-9-18(34-2)11-19(10-15)35-3)32(30-14)23-20-12-28-31(22(20)26-13-27-23)17-6-4-16(25)5-7-17/h4-13H,1-3H3,(H,29,33)
InChIKeyNSLUEGSEKGNQQY-UHFFFAOYSA-N
XLogP3.72
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide (CID 18570158) is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(C)nn2-c2ncnc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is NSLUEGSEKGNQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O3/c1-14-8-21(29-24(33)15-9-18(34-2)11-19(10-15)35-3)32(30-14)23-20-12-28-31(22(20)26-13-27-23)17-6-4-16(25)5-7-17/h4-13H,1-3H3,(H,29,33).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide?
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 473.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 18570158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).