[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C15H15N5OS — CID 95853408

IUPAC[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2[nH]nc3nccnc23)CC1
InChIInChI=1S/C15H15N5OS/c21-15(11-2-1-9-22-11)20-7-3-10(4-8-20)12-13-14(19-18-12)17-6-5-16-13/h1-2,5-6,9-10H,3-4,7-8H2,(H,17,18,19)
InChIKeyUJXHDMURNZBTCE-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.43
Rot. Bonds2

About [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 95853408) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID95853408
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2[nH]nc3nccnc23)CC1
InChIInChI=1S/C15H15N5OS/c21-15(11-2-1-9-22-11)20-7-3-10(4-8-20)12-13-14(19-18-12)17-6-5-16-13/h1-2,5-6,9-10H,3-4,7-8H2,(H,17,18,19)
InChIKeyUJXHDMURNZBTCE-UHFFFAOYSA-N
XLogP2.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 72195318
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]thiophene-3-carboxamide
CID 89913832
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
CID 127036564
N-(pyridin-3-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17020757
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 59663067
US10100058, Example 1
CID 134539527
US10100058, Example 36
CID 134539804
1-propan-2-yl-N-pyrimidin-5-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 137634456

Frequently Asked Questions

What is the IUPAC name of [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 95853408) is [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2[nH]nc3nccnc23)CC1.
What is the InChIKey of [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is UJXHDMURNZBTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(11-2-1-9-22-11)20-7-3-10(4-8-20)12-13-14(19-18-12)17-6-5-16-13/h1-2,5-6,9-10H,3-4,7-8H2,(H,17,18,19).
What are the key properties of [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 313.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 95853408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).