[6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C33H37N11O3 — CID 177348632

About [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 177348632) has the molecular formula C33H37N11O3 and a molecular weight of 635.73 g/mol. Its IUPAC name is [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 177348632
• Molecular Formula: C33H37N11O3
• Molecular Weight: 635.73 g/mol
• Exact Mass: 635.31
• IUPAC Name: [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
• SMILES: CNc1cc(Nc2cccc3c2N(C)C(C)c2c-3cnn2C2CN(C(O)(O)c3cccc(C(=O)N4CCCC4)n3)C2)n2nccc2n1
• InChI: InChI=1S/C33H37N11O3/c1-20-30-23(22-8-6-9-24(31(22)40(20)3)38-29-16-27(34-2)39-28-12-13-35-44(28)29)17-36-43(30)21-18-42(19-21)33(46,47)26-11-7-10-25(37-26)32(45)41-14-4-5-15-41/h6-13,16-17,20-21,38,46-47H,4-5,14-15,18-19H2,1-3H3,(H,34,39)
• InChIKey: AEXNOJIURRBKLX-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 152.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.73
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 177348632) is [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is CNc1cc(Nc2cccc3c2N(C)C(C)c2c-3cnn2C2CN(C(O)(O)c3cccc(C(=O)N4CCCC4)n3)C2)n2nccc2n1.

What is the InChIKey of [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?

The InChIKey is AEXNOJIURRBKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N11O3/c1-20-30-23(22-8-6-9-24(31(22)40(20)3)38-29-16-27(34-2)39-28-12-13-35-44(28)29)17-36-43(30)21-18-42(19-21)33(46,47)26-11-7-10-25(37-26)32(45)41-14-4-5-15-41/h6-13,16-17,20-21,38,46-47H,4-5,14-15,18-19H2,1-3H3,(H,34,39).

What are the key properties of [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?

[6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 635.73 g/mol, XLogP of 3.17, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[3-[4,5-dimethyl-6-[[5-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]-dihydroxymethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 177348632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).