1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one

C24H24N6O2S — CID 149451253

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)cnc1CCC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C24H24N6O2S/c1-15-9-16(20-5-7-25-24(29-20)28-18-12-27-30(2)13-18)11-26-19(15)3-4-21(31)23-10-17-14-32-8-6-22(17)33-23/h5,7,9-13H,3-4,6,8,14H2,1-2H3,(H,25,28,29)
InChIKeyYXRKRLZJTXKXMS-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.27
Rot. Bonds7

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one (PubChem CID 149451253) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one
PubChem CID149451253
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)cnc1CCC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C24H24N6O2S/c1-15-9-16(20-5-7-25-24(29-20)28-18-12-27-30(2)13-18)11-26-19(15)3-4-21(31)23-10-17-14-32-8-6-22(17)33-23/h5,7,9-13H,3-4,6,8,14H2,1-2H3,(H,25,28,29)
InChIKeyYXRKRLZJTXKXMS-UHFFFAOYSA-N
XLogP4.27
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 3583690
methyl 4-[2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]thiophene-2-carboxylate
CID 118869599
3-[5-(butoxymethyl)thiophen-2-yl]-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 145969177
ethyl 5-((2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl)thiophene-2-carboxylate
CID 155280512
2-[4-[(2-Fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methyl-pyrazol-1-yl]pyridine-3-carboxamide
CID 67168088
N-[[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 118139288
N-[[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 118139626
2-[4-[(2-Fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-5-methylpyrazol-1-yl]pyridine-3-carboxamide
CID 123337983
2-[2-[4-[(2-Fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]-3-pyridinyl]acetamide
CID 140222049
N-[(3R)-1-[4-amino-7-(2-fluoro-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-5-methyl-3-(2-morpholin-4-ylethoxymethyl)thiophene-2-carboxamide
CID 178063870
Methyl 2-[[4-[[5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402476
[4-Amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 41917405

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one (CID 149451253) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one is Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)cnc1CCC(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one?
The InChIKey is YXRKRLZJTXKXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-15-9-16(20-5-7-25-24(29-20)28-18-12-27-30(2)13-18)11-26-19(15)3-4-21(31)23-10-17-14-32-8-6-22(17)33-23/h5,7,9-13H,3-4,6,8,14H2,1-2H3,(H,25,28,29).
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one has a molecular weight of 460.56 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-3-[3-methyl-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 149451253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).