carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+)

C36H41F2N6O2Y — CID 169254837

About carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+)

carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+) (PubChem CID 169254837) has the molecular formula C36H41F2N6O2Y and a molecular weight of 716.67 g/mol. Its IUPAC name is carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+).

Molecular Properties

• Compound Name: carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+)
• PubChem CID: 169254837
• Molecular Formula: C36H41F2N6O2Y
• Molecular Weight: 716.67 g/mol
• Exact Mass: 716.23
• IUPAC Name: carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+)
• SMILES: C#Cc1c(F)ccc2cc(O)cc(-c3nc(CCC(CC)C(C)[NH-])c4c(N[CH2-])nc(OCC56CCCN5CCC6)nc4c3F)c12.[CH3-].[Y+3]
• InChI: InChI=1S/C35H38F2N6O2.CH3.Y/c1-5-21(20(3)38)10-12-27-29-32(41-34(42-33(29)39-4)45-19-35-13-7-15-43(35)16-8-14-35)30(37)31(40-27)25-18-23(44)17-22-9-11-26(36)24(6-2)28(22)25;;/h2,9,11,17-18,20-21,38,44H,4-5,7-8,10,12-16,19H2,1,3H3,(H,39,41,42);1H3;/q-2;-1;+3
• InChIKey: HNFIPGQJWLYILA-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 107.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.67
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+)?

The IUPAC name of carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+) (CID 169254837) is carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+).

What is the SMILES notation for carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+)?

The canonical SMILES for carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+) is C#Cc1c(F)ccc2cc(O)cc(-c3nc(CCC(CC)C(C)[NH-])c4c(N[CH2-])nc(OCC56CCCN5CCC6)nc4c3F)c12.[CH3-].[Y+3].

What is the InChIKey of carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+)?

The InChIKey is HNFIPGQJWLYILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F2N6O2.CH3.Y/c1-5-21(20(3)38)10-12-27-29-32(41-34(42-33(29)39-4)45-19-35-13-7-15-43(35)16-8-14-35)30(37)31(40-27)25-18-23(44)17-22-9-11-26(36)24(6-2)28(22)25;;/h2,9,11,17-18,20-21,38,44H,4-5,7-8,10,12-16,19H2,1,3H3,(H,39,41,42);1H3;/q-2;-1;+3.

What are the key properties of carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+)?

carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+) has a molecular weight of 716.67 g/mol, XLogP of 7.87, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[3-ethyl-5-[7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(methanidylamino)pyrido[4,3-d]pyrimidin-5-yl]pentan-2-yl]azanide;yttrium(3+) is sourced from PubChem (CID 169254837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).