8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine

C78H69F3N8O6 — CID 169184700

IUPAC8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
SMILESFc1c(-c2cc(OCc3ccccc3)cc3ccccc23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3CCC4)nc12.Fc1c(-c2cc(OCc3ccccc3)cc3ccccc23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3C[C@H](F)C4)nc12
InChIInChI=1S/C39H34F2N4O3.C39H35FN4O3/c40-29-20-39(16-9-17-45(39)22-29)25-48-38-43-36-33(37(44-38)47-24-27-12-5-2-6-13-27)21-42-35(34(36)41)32-19-30(18-28-14-7-8-15-31(28)32)46-23-26-10-3-1-4-11-26;40-34-35(32-22-30(21-29-15-7-8-16-31(29)32)45-24-27-11-3-1-4-12-27)41-23-33-36(34)42-38(43-37(33)46-25-28-13-5-2-6-14-28)47-26-39-17-9-19-44(39)20-10-18-39/h1-8,10-15,18-19,21,29H,9,16-17,20,22-25H2;1-8,11-16,21-23H,9-10,17-20,24-26H2/t29-,39?;/m1./s1
InChIKeyAKXFOGYUNDEZDI-WZWNBCAJSA-N
MW1271.45 g/mol
LogP16.25
Rot. Bonds20

About 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine

8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine (PubChem CID 169184700) has the molecular formula C78H69F3N8O6 and a molecular weight of 1271.45 g/mol. Its IUPAC name is 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
PubChem CID169184700
Molecular FormulaC78H69F3N8O6
Molecular Weight1271.45 g/mol
Exact Mass1270.53
IUPAC Name8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
SMILESFc1c(-c2cc(OCc3ccccc3)cc3ccccc23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3CCC4)nc12.Fc1c(-c2cc(OCc3ccccc3)cc3ccccc23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3C[C@H](F)C4)nc12
InChIInChI=1S/C39H34F2N4O3.C39H35FN4O3/c40-29-20-39(16-9-17-45(39)22-29)25-48-38-43-36-33(37(44-38)47-24-27-12-5-2-6-13-27)21-42-35(34(36)41)32-19-30(18-28-14-7-8-15-31(28)32)46-23-26-10-3-1-4-11-26;40-34-35(32-22-30(21-29-15-7-8-16-31(29)32)45-24-27-11-3-1-4-12-27)41-23-33-36(34)42-38(43-37(33)46-25-28-13-5-2-6-14-28)47-26-39-17-9-19-44(39)20-10-18-39/h1-8,10-15,18-19,21,29H,9,16-17,20,22-25H2;1-8,11-16,21-23H,9-10,17-20,24-26H2/t29-,39?;/m1./s1
InChIKeyAKXFOGYUNDEZDI-WZWNBCAJSA-N
XLogP16.25
TPSA139.20 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001271.45
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

3-chloro-5-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]-4-(trifluoromethyl)aniline
CID 172556427
8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 175977921
4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 166157490
1-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-4-yl]-4-(3-hydroxypropyl)piperidin-4-ol
CID 166157389
8-[7-(3-chloronaphthalen-1-yl)-8-fluoro-2-[[(8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-8-azaspiro[3.5]nonane
CID 175636120
2-[1-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-4-yl]azepan-4-yl]acetonitrile
CID 166157531
tert-butyl (1R,5S)-3-[6-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-(3-phenylmethoxynaphthalen-1-yl)quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 170683540
4-[4-(3-azabicyclo[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-2-ol
CID 166139916
5-chloro-6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 175977386
ethyl 2-[6-fluoro-4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]-5-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]acetate
CID 171798804
7-(8-ethyl-7-fluoro-3-methoxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 175977316
7-[8-[2-[(3R)-azepan-3-yl]oxyethoxy]-7-fluoro-3-phenylmethoxynaphthalen-1-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 177062834

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine (CID 169184700) is 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine is Fc1c(-c2cc(OCc3ccccc3)cc3ccccc23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3CCC4)nc12.Fc1c(-c2cc(OCc3ccccc3)cc3ccccc23)ncc2c(OCc3ccccc3)nc(OCC34CCCN3C[C@H](F)C4)nc12.
What is the InChIKey of 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The InChIKey is AKXFOGYUNDEZDI-WZWNBCAJSA-N. The full InChI is InChI=1S/C39H34F2N4O3.C39H35FN4O3/c40-29-20-39(16-9-17-45(39)22-29)25-48-38-43-36-33(37(44-38)47-24-27-12-5-2-6-13-27)21-42-35(34(36)41)32-19-30(18-28-14-7-8-15-31(28)32)46-23-26-10-3-1-4-11-26;40-34-35(32-22-30(21-29-15-7-8-16-31(29)32)45-24-27-11-3-1-4-12-27)41-23-33-36(34)42-38(43-37(33)46-25-28-13-5-2-6-14-28)47-26-39-17-9-19-44(39)20-10-18-39/h1-8,10-15,18-19,21,29H,9,16-17,20,22-25H2;1-8,11-16,21-23H,9-10,17-20,24-26H2/t29-,39?;/m1./s1.
What are the key properties of 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine has a molecular weight of 1271.45 g/mol, XLogP of 16.25, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[[(2R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine;8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 169184700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).