4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C23H24N8O2S — CID 137429821

IUPAC4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCN1CCN(c2nc(-c3ccccn3)nc3scc(C(=O)NCCc4cnc(=O)[nH]c4)c23)CC1
InChIInChI=1S/C23H24N8O2S/c1-30-8-10-31(11-9-30)20-18-16(21(32)25-7-5-15-12-26-23(33)27-13-15)14-34-22(18)29-19(28-20)17-4-2-3-6-24-17/h2-4,6,12-14H,5,7-11H2,1H3,(H,25,32)(H,26,27,33)
InChIKeyUBNSTQNNBOYKTA-UHFFFAOYSA-N
MW476.57 g/mol
LogP1.56
Rot. Bonds6

About 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429821) has the molecular formula C23H24N8O2S and a molecular weight of 476.57 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429821
Molecular FormulaC23H24N8O2S
Molecular Weight476.57 g/mol
Exact Mass476.17
IUPAC Name4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCN1CCN(c2nc(-c3ccccn3)nc3scc(C(=O)NCCc4cnc(=O)[nH]c4)c23)CC1
InChIInChI=1S/C23H24N8O2S/c1-30-8-10-31(11-9-30)20-18-16(21(32)25-7-5-15-12-26-23(33)27-13-15)14-34-22(18)29-19(28-20)17-4-2-3-6-24-17/h2-4,6,12-14H,5,7-11H2,1H3,(H,25,32)(H,26,27,33)
InChIKeyUBNSTQNNBOYKTA-UHFFFAOYSA-N
XLogP1.56
TPSA120.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide
CID 118875852
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137654148
N-Methyl-2-{[5-phenyl-2-(pyridin-2-YL)thieno[2,3-D]pyrimidin-4-YL]amino}acetamide
CID 17404784
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 137637746
3-(Ethylamino)-11-(4-methylphenyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 16118942
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
CID 25230100
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid ethyl-amide
CID 25231167
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid iso-propylamide
CID 25231170
2-phenyl-6-piperazin-1-yl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
CID 25265679
5-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45267044
13-(2-Methylprop-2-enylamino)-5-pyridin-4-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54580945
13-(Dimethylamino)-5-pyridin-3-yl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57559552

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429821) is 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is CN1CCN(c2nc(-c3ccccn3)nc3scc(C(=O)NCCc4cnc(=O)[nH]c4)c23)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UBNSTQNNBOYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2S/c1-30-8-10-31(11-9-30)20-18-16(21(32)25-7-5-15-12-26-23(33)27-13-15)14-34-22(18)29-19(28-20)17-4-2-3-6-24-17/h2-4,6,12-14H,5,7-11H2,1H3,(H,25,32)(H,26,27,33).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).