2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

C22H25N5OS — CID 651983

IUPAC2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H25N5OS/c1-15-7-5-6-12-26(15)19(28)14-29-22-18-13-23-27(17-8-3-2-4-9-17)21(18)24-20(25-22)16-10-11-16/h2-4,8-9,13,15-16H,5-7,10-12,14H2,1H3
InChIKeyBMMGAFAKLXXYCH-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.19
Rot. Bonds5

About 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 651983) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID651983
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H25N5OS/c1-15-7-5-6-12-26(15)19(28)14-29-22-18-13-23-27(17-8-3-2-4-9-17)21(18)24-20(25-22)16-10-11-16/h2-4,8-9,13,15-16H,5-7,10-12,14H2,1H3
InChIKeyBMMGAFAKLXXYCH-UHFFFAOYSA-N
XLogP4.19
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone (CID 651983) is 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is BMMGAFAKLXXYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-15-7-5-6-12-26(15)19(28)14-29-22-18-13-23-27(17-8-3-2-4-9-17)21(18)24-20(25-22)16-10-11-16/h2-4,8-9,13,15-16H,5-7,10-12,14H2,1H3.
What are the key properties of 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone?
2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 407.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 651983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).