[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone

C18H16N6OS — CID 143750508

IUPAC[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1)N1CCCC1
InChIInChI=1S/C18H16N6OS/c25-18(23-3-1-2-4-23)16-5-12(11-26-16)15-9-22-24-10-14(6-19-17(15)24)13-7-20-21-8-13/h5-11H,1-4H2,(H,20,21)
InChIKeyBGMNJSGXQFQYPD-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.08
Rot. Bonds3

About [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone

[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 143750508) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID143750508
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1)N1CCCC1
InChIInChI=1S/C18H16N6OS/c25-18(23-3-1-2-4-23)16-5-12(11-26-16)15-9-22-24-10-14(6-19-17(15)24)13-7-20-21-8-13/h5-11H,1-4H2,(H,20,21)
InChIKeyBGMNJSGXQFQYPD-UHFFFAOYSA-N
XLogP3.08
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone (CID 143750508) is [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1)N1CCCC1.
What is the InChIKey of [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BGMNJSGXQFQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c25-18(23-3-1-2-4-23)16-5-12(11-26-16)15-9-22-24-10-14(6-19-17(15)24)13-7-20-21-8-13/h5-11H,1-4H2,(H,20,21).
What are the key properties of [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 364.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 143750508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).