4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one

C24H26N8OS — CID 130257316

IUPAC4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
SMILESCC(C)n1cc(C2CNC(=O)C2)c2cnc(Nc3ccnc(-c4cnn(SC5CC5)c4)n3)cc21
InChIInChI=1S/C24H26N8OS/c1-14(2)31-13-19(15-7-23(33)27-9-15)18-11-26-22(8-20(18)31)29-21-5-6-25-24(30-21)16-10-28-32(12-16)34-17-3-4-17/h5-6,8,10-15,17H,3-4,7,9H2,1-2H3,(H,27,33)(H,25,26,29,30)
InChIKeyRBUXGUZAWRAOMY-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.28
Rot. Bonds7

About 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one

4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one (PubChem CID 130257316) has the molecular formula C24H26N8OS and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
PubChem CID130257316
Molecular FormulaC24H26N8OS
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one
SMILESCC(C)n1cc(C2CNC(=O)C2)c2cnc(Nc3ccnc(-c4cnn(SC5CC5)c4)n3)cc21
InChIInChI=1S/C24H26N8OS/c1-14(2)31-13-19(15-7-23(33)27-9-15)18-11-26-22(8-20(18)31)29-21-5-6-25-24(30-21)16-10-28-32(12-16)34-17-3-4-17/h5-6,8,10-15,17H,3-4,7,9H2,1-2H3,(H,27,33)(H,25,26,29,30)
InChIKeyRBUXGUZAWRAOMY-UHFFFAOYSA-N
XLogP4.28
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one (CID 130257316) is 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one is CC(C)n1cc(C2CNC(=O)C2)c2cnc(Nc3ccnc(-c4cnn(SC5CC5)c4)n3)cc21.
What is the InChIKey of 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one?
The InChIKey is RBUXGUZAWRAOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS/c1-14(2)31-13-19(15-7-23(33)27-9-15)18-11-26-22(8-20(18)31)29-21-5-6-25-24(30-21)16-10-28-32(12-16)34-17-3-4-17/h5-6,8,10-15,17H,3-4,7,9H2,1-2H3,(H,27,33)(H,25,26,29,30).
What are the key properties of 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one?
4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one has a molecular weight of 474.59 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[2-(1-cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrrolo[3,2-c]pyridin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 130257316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).