N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide

C17H26N6O2S — CID 16901218

IUPACN-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
SMILESCOCCNc1nc(SC)nc2c1cnn2CCNC(=O)C1CCCC1
InChIInChI=1S/C17H26N6O2S/c1-25-10-8-18-14-13-11-20-23(15(13)22-17(21-14)26-2)9-7-19-16(24)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,19,24)(H,18,21,22)
InChIKeyRNLGYJZYYHUVPW-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.91
Rot. Bonds9

About N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide

N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide (PubChem CID 16901218) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
PubChem CID16901218
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC NameN-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
SMILESCOCCNc1nc(SC)nc2c1cnn2CCNC(=O)C1CCCC1
InChIInChI=1S/C17H26N6O2S/c1-25-10-8-18-14-13-11-20-23(15(13)22-17(21-14)26-2)9-7-19-16(24)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,19,24)(H,18,21,22)
InChIKeyRNLGYJZYYHUVPW-UHFFFAOYSA-N
XLogP1.91
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide (CID 16901218) is N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide is COCCNc1nc(SC)nc2c1cnn2CCNC(=O)C1CCCC1.
What is the InChIKey of N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is RNLGYJZYYHUVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-25-10-8-18-14-13-11-20-23(15(13)22-17(21-14)26-2)9-7-19-16(24)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3,(H,19,24)(H,18,21,22).
What are the key properties of N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide?
N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 378.50 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 16901218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).