2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide

C27H34N8O2S — CID 59605437

IUPAC2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
SMILESCc1cc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(C(C)(C)C(N)=O)CC5)cc4n3)cncc2[nH]1
InChIInChI=1S/C27H34N8O2S/c1-17-12-19-20(14-29-15-22(19)30-17)24-31-21-13-18(38-23(21)25(32-24)34-8-10-37-11-9-34)16-33-4-6-35(7-5-33)27(2,3)26(28)36/h12-15,30H,4-11,16H2,1-3H3,(H2,28,36)
InChIKeySJTGQJZCUJQYAU-UHFFFAOYSA-N
MW534.69 g/mol
LogP2.76
Rot. Bonds6

About 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide

2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 59605437) has the molecular formula C27H34N8O2S and a molecular weight of 534.69 g/mol. Its IUPAC name is 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
PubChem CID59605437
Molecular FormulaC27H34N8O2S
Molecular Weight534.69 g/mol
Exact Mass534.25
IUPAC Name2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
SMILESCc1cc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(C(C)(C)C(N)=O)CC5)cc4n3)cncc2[nH]1
InChIInChI=1S/C27H34N8O2S/c1-17-12-19-20(14-29-15-22(19)30-17)24-31-21-13-18(38-23(21)25(32-24)34-8-10-37-11-9-34)16-33-4-6-35(7-5-33)27(2,3)26(28)36/h12-15,30H,4-11,16H2,1-3H3,(H2,28,36)
InChIKeySJTGQJZCUJQYAU-UHFFFAOYSA-N
XLogP2.76
TPSA116.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.69
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide with MolForge

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Related Compounds

2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 59605344
2-methyl-2-[4-[[2-(6-methylimidazo[1,2-a]pyridin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
CID 59605549
2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 59605882
(2S)-3-[4-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropanal
CID 87670523
ethane;2-methyl-2-[4-[(2-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 143565866
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 24969577
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58233954
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
2-methyl-2-[4-[[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
CID 59605479
5-fluoro-2-methyl-3-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline
CID 57493984
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide (CID 59605437) is 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide is Cc1cc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(C(C)(C)C(N)=O)CC5)cc4n3)cncc2[nH]1.
What is the InChIKey of 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is SJTGQJZCUJQYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2S/c1-17-12-19-20(14-29-15-22(19)30-17)24-31-21-13-18(38-23(21)25(32-24)34-8-10-37-11-9-34)16-33-4-6-35(7-5-33)27(2,3)26(28)36/h12-15,30H,4-11,16H2,1-3H3,(H2,28,36).
What are the key properties of 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide?
2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 534.69 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 59605437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).