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

C25H22FN7O2 — CID 18570154

IUPACN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
SMILESCc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
InChIInChI=1S/C25H22FN7O2/c1-15(2)35-20-10-4-17(5-11-20)25(34)30-22-12-16(3)31-33(22)24-21-13-29-32(23(21)27-14-28-24)19-8-6-18(26)7-9-19/h4-15H,1-3H3,(H,30,34)
InChIKeyHBGNXFKGEAZOOV-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.49
Rot. Bonds6

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

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide (PubChem CID 18570154) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
PubChem CID18570154
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
SMILESCc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
InChIInChI=1S/C25H22FN7O2/c1-15(2)35-20-10-4-17(5-11-20)25(34)30-22-12-16(3)31-33(22)24-21-13-29-32(23(21)27-14-28-24)19-8-6-18(26)7-9-19/h4-15H,1-3H3,(H,30,34)
InChIKeyHBGNXFKGEAZOOV-UHFFFAOYSA-N
XLogP4.49
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide (CID 18570154) is N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide is Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide?
The InChIKey is HBGNXFKGEAZOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-15(2)35-20-10-4-17(5-11-20)25(34)30-22-12-16(3)31-33(22)24-21-13-29-32(23(21)27-14-28-24)19-8-6-18(26)7-9-19/h4-15H,1-3H3,(H,30,34).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide?
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide has a molecular weight of 471.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 18570154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).