1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

C24H24N8O2S — CID 54331304

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
SMILESO=C(NCCc1cccs1)C1CN(C(=O)c2ccccn2)CCN1c1cc(-n2ccnc2)ncn1
InChIInChI=1S/C24H24N8O2S/c33-23(27-8-6-18-4-3-13-35-18)20-15-30(24(34)19-5-1-2-7-26-19)11-12-32(20)22-14-21(28-16-29-22)31-10-9-25-17-31/h1-5,7,9-10,13-14,16-17,20H,6,8,11-12,15H2,(H,27,33)
InChIKeySYNRITHKDKSJGR-UHFFFAOYSA-N
MW488.58 g/mol
LogP1.81
Rot. Bonds7

About 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide (PubChem CID 54331304) has the molecular formula C24H24N8O2S and a molecular weight of 488.58 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
PubChem CID54331304
Molecular FormulaC24H24N8O2S
Molecular Weight488.58 g/mol
Exact Mass488.17
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
SMILESO=C(NCCc1cccs1)C1CN(C(=O)c2ccccn2)CCN1c1cc(-n2ccnc2)ncn1
InChIInChI=1S/C24H24N8O2S/c33-23(27-8-6-18-4-3-13-35-18)20-15-30(24(34)19-5-1-2-7-26-19)11-12-32(20)22-14-21(28-16-29-22)31-10-9-25-17-31/h1-5,7,9-10,13-14,16-17,20H,6,8,11-12,15H2,(H,27,33)
InChIKeySYNRITHKDKSJGR-UHFFFAOYSA-N
XLogP1.81
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110809228
(E)-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122338212
1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133304116
N-[2-(4-fluorophenyl)ethyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520435
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 90520440
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111074399
7-(5-methylpyridine-3-carbonyl)-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694017
2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42691375
N-[2-(3,4-difluorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(oxolane-3-carbonyl)piperazine-2-carboxamide
CID 22488061
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide
CID 22560501

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide (CID 54331304) is 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide is O=C(NCCc1cccs1)C1CN(C(=O)c2ccccn2)CCN1c1cc(-n2ccnc2)ncn1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The InChIKey is SYNRITHKDKSJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2S/c33-23(27-8-6-18-4-3-13-35-18)20-15-30(24(34)19-5-1-2-7-26-19)11-12-32(20)22-14-21(28-16-29-22)31-10-9-25-17-31/h1-5,7,9-10,13-14,16-17,20H,6,8,11-12,15H2,(H,27,33).
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide has a molecular weight of 488.58 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)-4-(pyridine-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 54331304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).