2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

C28H33FN6OS — CID 164709938

IUPAC2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
SMILESCc1c(-c2nc(Nc3ccc(C4CCN(C(C)C)C4)cn3)ncc2F)sc2c(C(C)C)cn(C)c(=O)c12
InChIInChI=1S/C28H33FN6OS/c1-15(2)20-14-34(6)27(36)23-17(5)25(37-26(20)23)24-21(29)12-31-28(33-24)32-22-8-7-18(11-30-22)19-9-10-35(13-19)16(3)4/h7-8,11-12,14-16,19H,9-10,13H2,1-6H3,(H,30,31,32,33)
InChIKeyJEMUKTFLVUMJMN-UHFFFAOYSA-N
MW520.68 g/mol
LogP5.96
Rot. Bonds6

About 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (PubChem CID 164709938) has the molecular formula C28H33FN6OS and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
PubChem CID164709938
Molecular FormulaC28H33FN6OS
Molecular Weight520.68 g/mol
Exact Mass520.24
IUPAC Name2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
SMILESCc1c(-c2nc(Nc3ccc(C4CCN(C(C)C)C4)cn3)ncc2F)sc2c(C(C)C)cn(C)c(=O)c12
InChIInChI=1S/C28H33FN6OS/c1-15(2)20-14-34(6)27(36)23-17(5)25(37-26(20)23)24-21(29)12-31-28(33-24)32-22-8-7-18(11-30-22)19-9-10-35(13-19)16(3)4/h7-8,11-12,14-16,19H,9-10,13H2,1-6H3,(H,30,31,32,33)
InChIKeyJEMUKTFLVUMJMN-UHFFFAOYSA-N
XLogP5.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (CID 164709938) is 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is Cc1c(-c2nc(Nc3ccc(C4CCN(C(C)C)C4)cn3)ncc2F)sc2c(C(C)C)cn(C)c(=O)c12.
What is the InChIKey of 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
The InChIKey is JEMUKTFLVUMJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN6OS/c1-15(2)20-14-34(6)27(36)23-17(5)25(37-26(20)23)24-21(29)12-31-28(33-24)32-22-8-7-18(11-30-22)19-9-10-35(13-19)16(3)4/h7-8,11-12,14-16,19H,9-10,13H2,1-6H3,(H,30,31,32,33).
What are the key properties of 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?
2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one has a molecular weight of 520.68 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[[5-(1-propan-2-ylpyrrolidin-3-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 164709938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).