5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one

C25H28N6OS — CID 164540343

IUPAC5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
SMILESCc1cnc(Nc2ccc(C3CCN(C)CC3)cn2)nc1-c1cc2c(s1)C1(CC1)N(C)C2=O
InChIInChI=1S/C25H28N6OS/c1-15-13-27-24(28-20-5-4-17(14-26-20)16-6-10-30(2)11-7-16)29-21(15)19-12-18-22(33-19)25(8-9-25)31(3)23(18)32/h4-5,12-14,16H,6-11H2,1-3H3,(H,26,27,28,29)
InChIKeyNGPBWZAODFATCY-UHFFFAOYSA-N
MW460.61 g/mol
LogP4.54
Rot. Bonds4

About 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one

5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one (PubChem CID 164540343) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one.

Molecular Properties

Compound Name5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
PubChem CID164540343
Molecular FormulaC25H28N6OS
Molecular Weight460.61 g/mol
Exact Mass460.20
IUPAC Name5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
SMILESCc1cnc(Nc2ccc(C3CCN(C)CC3)cn2)nc1-c1cc2c(s1)C1(CC1)N(C)C2=O
InChIInChI=1S/C25H28N6OS/c1-15-13-27-24(28-20-5-4-17(14-26-20)16-6-10-30(2)11-7-16)29-21(15)19-12-18-22(33-19)25(8-9-25)31(3)23(18)32/h4-5,12-14,16H,6-11H2,1-3H3,(H,26,27,28,29)
InChIKeyNGPBWZAODFATCY-UHFFFAOYSA-N
XLogP4.54
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one with MolForge

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Related Compounds

5-methyl-2-[2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]spiro[6H-thieno[3,2-c]pyridine-7,1'-cyclobutane]-4-one
CID 176734209
3'-chloro-2'-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-5'-methylspiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
CID 164928398
2-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-5-methylspiro[6H-thieno[3,2-c]pyridine-7,3'-cyclohexane]-1',4-dione
CID 172683734
2'-[2-[[5-[1-[(E)-but-2-enyl]pyrrolidin-3-yl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one
CID 164928342
2-[5-fluoro-2-[[5-(1-methylpiperidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 170551131
6-(iodomethyl)-2-methyl-4-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyridazin-3-one
CID 89411686
2'-[2-[[5-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-3',5'-dimethylspiro[cyclopropane-2,6'-thieno[2,3-c]pyrrole]-1,4'-dione
CID 164540362
5'-methyl-2'-[2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]spiro[cyclopentane-1,6'-thieno[2,3-c]pyrrole]-4'-one
CID 169025839
5-[3-[[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]amino]-1H-pyrazol-5-yl]thiophene-2-carboxamide
CID 175202267
N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(oxazepin-7-yl)pyrimidin-2-amine
CID 175804241
2,3-dimethyl-5-(1-methylpiperidin-4-yl)pyridine
CID 158714513
3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 145438760

Frequently Asked Questions

What is the IUPAC name of 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one?
The IUPAC name of 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one (CID 164540343) is 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one.
What is the SMILES notation for 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one?
The canonical SMILES for 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one is Cc1cnc(Nc2ccc(C3CCN(C)CC3)cn2)nc1-c1cc2c(s1)C1(CC1)N(C)C2=O.
What is the InChIKey of 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one?
The InChIKey is NGPBWZAODFATCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-15-13-27-24(28-20-5-4-17(14-26-20)16-6-10-30(2)11-7-16)29-21(15)19-12-18-22(33-19)25(8-9-25)31(3)23(18)32/h4-5,12-14,16H,6-11H2,1-3H3,(H,26,27,28,29).
What are the key properties of 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one?
5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one has a molecular weight of 460.61 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-2'-[5-methyl-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]spiro[cyclopropane-1,6'-thieno[2,3-c]pyrrole]-4'-one is sourced from PubChem (CID 164540343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).