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

C24H20ClN7O2 — CID 27655857

IUPACN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C24H20ClN7O2/c1-3-34-20-10-5-4-9-18(20)24(33)29-21-11-15(2)30-32(21)23-19-13-28-31(22(19)26-14-27-23)17-8-6-7-16(25)12-17/h4-14H,3H2,1-2H3,(H,29,33)
InChIKeyYGVGUTDKBBELRF-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.61
Rot. Bonds6

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

N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide (PubChem CID 27655857) has the molecular formula C24H20ClN7O2 and a molecular weight of 473.92 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide
PubChem CID27655857
Molecular FormulaC24H20ClN7O2
Molecular Weight473.92 g/mol
Exact Mass473.14
IUPAC NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1
InChIInChI=1S/C24H20ClN7O2/c1-3-34-20-10-5-4-9-18(20)24(33)29-21-11-15(2)30-32(21)23-19-13-28-31(22(19)26-14-27-23)17-8-6-7-16(25)12-17/h4-14H,3H2,1-2H3,(H,29,33)
InChIKeyYGVGUTDKBBELRF-UHFFFAOYSA-N
XLogP4.61
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide (CID 27655857) is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1cccc(Cl)c1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide?
The InChIKey is YGVGUTDKBBELRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O2/c1-3-34-20-10-5-4-9-18(20)24(33)29-21-11-15(2)30-32(21)23-19-13-28-31(22(19)26-14-27-23)17-8-6-7-16(25)12-17/h4-14H,3H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide?
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide has a molecular weight of 473.92 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-ethoxybenzamide is sourced from PubChem (CID 27655857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).