N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide

C22H18FN5OS — CID 3228961

IUPACN-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2F)nc2c1cnn2-c1ccccc1)NC1CC1
InChIInChI=1S/C22H18FN5OS/c23-18-9-5-4-8-16(18)20-26-21-17(12-24-28(21)15-6-2-1-3-7-15)22(27-20)30-13-19(29)25-14-10-11-14/h1-9,12,14H,10-11,13H2,(H,25,29)
InChIKeyYRMAGIHQKSXRFN-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.99
Rot. Bonds6

About N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide

N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide (PubChem CID 3228961) has the molecular formula C22H18FN5OS and a molecular weight of 419.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
PubChem CID3228961
Molecular FormulaC22H18FN5OS
Molecular Weight419.49 g/mol
Exact Mass419.12
IUPAC NameN-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2F)nc2c1cnn2-c1ccccc1)NC1CC1
InChIInChI=1S/C22H18FN5OS/c23-18-9-5-4-8-16(18)20-26-21-17(12-24-28(21)15-6-2-1-3-7-15)22(27-20)30-13-19(29)25-14-10-11-14/h1-9,12,14H,10-11,13H2,(H,25,29)
InChIKeyYRMAGIHQKSXRFN-UHFFFAOYSA-N
XLogP3.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide (CID 3228961) is N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide is O=C(CSc1nc(-c2ccccc2F)nc2c1cnn2-c1ccccc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is YRMAGIHQKSXRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5OS/c23-18-9-5-4-8-16(18)20-26-21-17(12-24-28(21)15-6-2-1-3-7-15)22(27-20)30-13-19(29)25-14-10-11-14/h1-9,12,14H,10-11,13H2,(H,25,29).
What are the key properties of N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide?
N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 419.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 3228961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).