2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

C28H32FN7OS — CID 164709757

IUPAC2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)cn(C)c(=O)c5c4C)n3)nc1)C2
InChIInChI=1S/C28H32FN7OS/c1-6-35-12-28(13-35)14-36(15-28)18-7-8-21(30-9-18)32-27-31-10-20(29)23(33-27)24-17(4)22-25(38-24)19(16(2)3)11-34(5)26(22)37/h7-11,16H,6,12-15H2,1-5H3,(H,30,31,32,33)
InChIKeyFPTFSNWAWQNUPS-UHFFFAOYSA-N
MW533.68 g/mol
LogP4.91
Rot. Bonds6

About 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (PubChem CID 164709757) has the molecular formula C28H32FN7OS and a molecular weight of 533.68 g/mol. Its IUPAC name is 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
PubChem CID164709757
Molecular FormulaC28H32FN7OS
Molecular Weight533.68 g/mol
Exact Mass533.24
IUPAC Name2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
SMILESCCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)cn(C)c(=O)c5c4C)n3)nc1)C2
InChIInChI=1S/C28H32FN7OS/c1-6-35-12-28(13-35)14-36(15-28)18-7-8-21(30-9-18)32-27-31-10-20(29)23(33-27)24-17(4)22-25(38-24)19(16(2)3)11-34(5)26(22)37/h7-11,16H,6,12-15H2,1-5H3,(H,30,31,32,33)
InChIKeyFPTFSNWAWQNUPS-UHFFFAOYSA-N
XLogP4.91
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-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

US11685744, Example 56
CID 164709790
N-(2-fluorophenyl)-4-[5-[(3-methyl-1-benzothiophene-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 52917420
Fovinaciclib
CID 132136461
[4-[[4-(1-Benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 168287581
N,N,3-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1-benzothiophene-2-carboxamide
CID 71233612
2-(2,6-Difluorophenyl)-4-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347888
US11685744, Example 58
CID 164709722
US11685744, Example 62
CID 164709735
US11685744, Example 98
CID 164709777
US11685744, Example 109
CID 164709792
US11685744, Example 94
CID 164709794
US11685744, Example 51
CID 164709866

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (CID 164709757) is 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(C(C)C)cn(C)c(=O)c5c4C)n3)nc1)C2.
What is the InChIKey of 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The InChIKey is FPTFSNWAWQNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7OS/c1-6-35-12-28(13-35)14-36(15-28)18-7-8-21(30-9-18)32-27-31-10-20(29)23(33-27)24-17(4)22-25(38-24)19(16(2)3)11-34(5)26(22)37/h7-11,16H,6,12-15H2,1-5H3,(H,30,31,32,33).
What are the key properties of 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one has a molecular weight of 533.68 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 164709757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).