1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

C33H41F2N7O2 — CID 170704154

About 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170704154) has the molecular formula C33H41F2N7O2 and a molecular weight of 605.73 g/mol. Its IUPAC name is 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

• Compound Name: 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
• PubChem CID: 170704154
• Molecular Formula: C33H41F2N7O2
• Molecular Weight: 605.73 g/mol
• Exact Mass: 605.33
• IUPAC Name: 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
• SMILES: C=CC(=O)N1CCC(N(C)c2nc(OC)nc3c(F)c(-c4cncc(C)c4C4CC4)ncc23)C1.CC12CCCN1CC(F)C2
• InChI: InChI=1S/C25H27FN6O2.C8H14FN/c1-5-19(33)32-9-8-16(13-32)31(3)24-18-12-28-22(21(26)23(18)29-25(30-24)34-4)17-11-27-10-14(2)20(17)15-6-7-15;1-8-3-2-4-10(8)6-7(9)5-8/h5,10-12,15-16H,1,6-9,13H2,2-4H3;7H,2-6H2,1H3
• InChIKey: HOLSNPLKMVYXPW-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 87.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.73
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The IUPAC name of 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 170704154) is 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

What is the SMILES notation for 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The canonical SMILES for 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is C=CC(=O)N1CCC(N(C)c2nc(OC)nc3c(F)c(-c4cncc(C)c4C4CC4)ncc23)C1.CC12CCCN1CC(F)C2.

What is the InChIKey of 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The InChIKey is HOLSNPLKMVYXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2.C8H14FN/c1-5-19(33)32-9-8-16(13-32)31(3)24-18-12-28-22(21(26)23(18)29-25(30-24)34-4)17-11-27-10-14(2)20(17)15-6-7-15;1-8-3-2-4-10(8)6-7(9)5-8/h5,10-12,15-16H,1,6-9,13H2,2-4H3;7H,2-6H2,1H3.

What are the key properties of 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 605.73 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[7-(4-cyclopropyl-5-methyl-3-pyridinyl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-methylamino]pyrrolidin-1-yl]prop-2-en-1-one;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170704154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).