5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane

C33H36F3N5O3 — CID 172607232

About 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane

5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane (PubChem CID 172607232) has the molecular formula C33H36F3N5O3 and a molecular weight of 607.68 g/mol. Its IUPAC name is 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane.

Molecular Properties

• Compound Name: 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane
• PubChem CID: 172607232
• Molecular Formula: C33H36F3N5O3
• Molecular Weight: 607.68 g/mol
• Exact Mass: 607.28
• IUPAC Name: 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane
• SMILES: C#Cc1c(F)ccc2cc(O)cc(-c3nc(NC)c4cnc(OC)nc4c3F)c12.CC12CCCN1C[C@H](F)C2.COC1CC1
• InChI: InChI=1S/C21H14F2N4O2.C8H14FN.C4H8O/c1-4-12-15(22)6-5-10-7-11(28)8-13(16(10)12)18-17(23)19-14(20(24-2)26-18)9-25-21(27-19)29-3;1-8-3-2-4-10(8)6-7(9)5-8;1-5-4-2-3-4/h1,5-9,28H,2-3H3,(H,24,26);7H,2-6H2,1H3;4H,2-3H2,1H3/t;7-,8?;/m.1./s1
• InChIKey: CDDYABMBZVLGGV-HNLNOCIGSA-N
• XLogP: 6.24
• TPSA: 92.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.68
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane?

The IUPAC name of 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane (CID 172607232) is 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane.

What is the SMILES notation for 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane?

The canonical SMILES for 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane is C#Cc1c(F)ccc2cc(O)cc(-c3nc(NC)c4cnc(OC)nc4c3F)c12.CC12CCCN1C[C@H](F)C2.COC1CC1.

What is the InChIKey of 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane?

The InChIKey is CDDYABMBZVLGGV-HNLNOCIGSA-N. The full InChI is InChI=1S/C21H14F2N4O2.C8H14FN.C4H8O/c1-4-12-15(22)6-5-10-7-11(28)8-13(16(10)12)18-17(23)19-14(20(24-2)26-18)9-25-21(27-19)29-3;1-8-3-2-4-10(8)6-7(9)5-8;1-5-4-2-3-4/h1,5-9,28H,2-3H3,(H,24,26);7H,2-6H2,1H3;4H,2-3H2,1H3/t;7-,8?;/m.1./s1.

What are the key properties of 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane?

5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane has a molecular weight of 607.68 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol;(2R)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;methoxycyclopropane is sourced from PubChem (CID 172607232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).