[8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol

C32H36FN7O4S — CID 175977438

IUPAC[8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol
SMILESO=S1(=O)NCC2(CCCN(c3nc(OCC45CCCN4CCC5)nc4c(F)c(-c5cccc6cccc(CO)c56)ncc34)C2)N1
InChIInChI=1S/C32H36FN7O4S/c33-26-27(23-9-2-7-21-6-1-8-22(17-41)25(21)23)34-16-24-28(26)36-30(44-20-32-11-4-14-40(32)15-5-12-32)37-29(24)39-13-3-10-31(19-39)18-35-45(42,43)38-31/h1-2,6-9,16,35,38,41H,3-5,10-15,17-20H2
InChIKeyLRZMOGIEBYBKTE-UHFFFAOYSA-N
MW633.75 g/mol
LogP3.26
Rot. Bonds6

About [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol

[8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol (PubChem CID 175977438) has the molecular formula C32H36FN7O4S and a molecular weight of 633.75 g/mol. Its IUPAC name is [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol
PubChem CID175977438
Molecular FormulaC32H36FN7O4S
Molecular Weight633.75 g/mol
Exact Mass633.25
IUPAC Name[8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol
SMILESO=S1(=O)NCC2(CCCN(c3nc(OCC45CCCN4CCC5)nc4c(F)c(-c5cccc6cccc(CO)c56)ncc34)C2)N1
InChIInChI=1S/C32H36FN7O4S/c33-26-27(23-9-2-7-21-6-1-8-22(17-41)25(21)23)34-16-24-28(26)36-30(44-20-32-11-4-14-40(32)15-5-12-32)37-29(24)39-13-3-10-31(19-39)18-35-45(42,43)38-31/h1-2,6-9,16,35,38,41H,3-5,10-15,17-20H2
InChIKeyLRZMOGIEBYBKTE-UHFFFAOYSA-N
XLogP3.26
TPSA132.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.75
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol with MolForge

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Related Compounds

9-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-1,3,9-triazaspiro[4.5]decan-2-one
CID 164535459
2-[8-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]acetamide
CID 164521721
[5-chloro-4-[4-[(5R)-2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-6-fluoronaphthalen-2-yl]oxythallium
CID 167381155
[1-[7-(8-ethylnaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
CID 164534338
5-[8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-1,5-diazocan-2-one
CID 164534704
CID 164534740
CID 164534740
5-chloro-4-[4-(2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decan-9-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 175977162
(3R,5S)-1-[8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-5-methylpiperidin-3-ol
CID 164534587
4-(3-azabicyclo[3.2.1]octan-3-yl)-7-(8-cyclopropylnaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
CID 167576687
[8-[[4-(azepan-1-yl)-7-(8-ethylnaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methanol
CID 170050155
(3aS,6aR)-5-[7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 164534533
8-[8-fluoro-7-[5-[8-[[8-fluoro-7-(5-hydroxy-2-methylphenyl)-4-(3-hydroxy-3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-8-(hydroxymethyl)naphthalen-1-yl]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-4-yl]-1,8-diazaspiro[3.5]nonan-2-one
CID 167120198

Frequently Asked Questions

What is the IUPAC name of [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol?
The IUPAC name of [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol (CID 175977438) is [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol.
What is the SMILES notation for [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol?
The canonical SMILES for [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol is O=S1(=O)NCC2(CCCN(c3nc(OCC45CCCN4CCC5)nc4c(F)c(-c5cccc6cccc(CO)c56)ncc34)C2)N1.
What is the InChIKey of [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol?
The InChIKey is LRZMOGIEBYBKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN7O4S/c33-26-27(23-9-2-7-21-6-1-8-22(17-41)25(21)23)34-16-24-28(26)36-30(44-20-32-11-4-14-40(32)15-5-12-32)37-29(24)39-13-3-10-31(19-39)18-35-45(42,43)38-31/h1-2,6-9,16,35,38,41H,3-5,10-15,17-20H2.
What are the key properties of [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol?
[8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol has a molecular weight of 633.75 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[4-(2,2-dioxo-2λ6-thia-1,3,9-triazaspiro[4.5]decan-9-yl)-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-1-yl]methanol is sourced from PubChem (CID 175977438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).