[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C17H18N4OS — CID 124680272

IUPAC[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cc2cncn2c([C@H]2CCCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C17H18N4OS/c1-12-9-13-10-18-11-21(13)16(19-12)14-5-2-3-7-20(14)17(22)15-6-4-8-23-15/h4,6,8-11,14H,2-3,5,7H2,1H3/t14-/m1/s1
InChIKeyJALJFWONUDNYTA-CQSZACIVSA-N
MW326.42 g/mol
LogP3.47
Rot. Bonds2

About [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 124680272) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID124680272
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cc2cncn2c([C@H]2CCCCN2C(=O)c2cccs2)n1
InChIInChI=1S/C17H18N4OS/c1-12-9-13-10-18-11-21(13)16(19-12)14-5-2-3-7-20(14)17(22)15-6-4-8-23-15/h4,6,8-11,14H,2-3,5,7H2,1H3/t14-/m1/s1
InChIKeyJALJFWONUDNYTA-CQSZACIVSA-N
XLogP3.47
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 91800754
[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124974608
cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone
CID 110110457
[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 132764105
[2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110118350
[2-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 87052242
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 87052153
[2-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]azepan-1-yl]-thiophen-2-ylmethanone
CID 110214505
N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46557972
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 124680272) is [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is Cc1cc2cncn2c([C@H]2CCCCN2C(=O)c2cccs2)n1.
What is the InChIKey of [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JALJFWONUDNYTA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-9-13-10-18-11-21(13)16(19-12)14-5-2-3-7-20(14)17(22)15-6-4-8-23-15/h4,6,8-11,14H,2-3,5,7H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 326.42 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 124680272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).