3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one

C23H23N5O2S — CID 163648492

IUPAC3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3c(C)csc23)n1
InChIInChI=1S/C23H23N5O2S/c1-14-13-31-22-20(14)27-23(25-15(2)17-8-4-5-12-24-17)28-21(22)18(29)11-10-16-7-6-9-19(26-16)30-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,25,27,28)/t15-/m0/s1
InChIKeyIKFZACNJCGGIJG-HNNXBMFYSA-N
MW433.54 g/mol
LogP4.79
Rot. Bonds8

About 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one

3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one (PubChem CID 163648492) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one
PubChem CID163648492
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3c(C)csc23)n1
InChIInChI=1S/C23H23N5O2S/c1-14-13-31-22-20(14)27-23(25-15(2)17-8-4-5-12-24-17)28-21(22)18(29)11-10-16-7-6-9-19(26-16)30-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,25,27,28)/t15-/m0/s1
InChIKeyIKFZACNJCGGIJG-HNNXBMFYSA-N
XLogP4.79
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540362
molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540200
N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane
CID 142540394
tert-butyl 2-[1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]acetate
CID 158377703
4-methyl-3-(1-pyridin-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 102748027
N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine
CID 101246134
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64628864
6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 162779417
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
CID 107111886

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one (CID 163648492) is 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one is COc1cccc(CCC(=O)c2nc(N[C@@H](C)c3ccccn3)nc3c(C)csc23)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one?
The InChIKey is IKFZACNJCGGIJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14-13-31-22-20(14)27-23(25-15(2)17-8-4-5-12-24-17)28-21(22)18(29)11-10-16-7-6-9-19(26-16)30-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,25,27,28)/t15-/m0/s1.
What are the key properties of 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one?
3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one has a molecular weight of 433.54 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-1-[7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]propan-1-one is sourced from PubChem (CID 163648492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).