8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine

C115H98F4N12O9 — CID 170244831

IUPAC8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
SMILESCN1CCC[C@H]1COc1nc(OCc2ccccc2)c2cnc(-c3cc(OCc4ccccc4-c4ccc(COc5nc(OCC67CCCN6CCC7)nc6c(F)c(-c7cc(OCc8ccccc8)cc8c(C9CC[C@@]%10(COc%11nc(OCc%12ccccc%12)c%12cnc(-c%13cc(OCc%14ccccc%14)cc%14ccccc%13%14)c(F)c%12n%11)C[C@@H](F)CN9%10)cccc78)ncc56)cc4)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C115H98F4N12O9/c1-129-49-21-35-82(129)69-138-111-123-105-95(108(126-111)135-65-74-28-10-4-11-29-74)59-120-103(99(105)117)93-56-84(53-79-33-15-19-38-88(79)93)134-68-80-34-16-17-36-86(80)77-43-41-76(42-44-77)67-137-110-97-61-122-104(101(119)107(97)124-112(127-110)139-70-114-46-22-50-130(114)51-23-47-114)94-57-85(133-64-73-26-8-3-9-27-73)54-91-89(94)39-20-40-90(91)98-45-48-115(58-81(116)62-131(98)115)71-140-113-125-106-96(109(128-113)136-66-75-30-12-5-13-31-75)60-121-102(100(106)118)92-55-83(52-78-32-14-18-37-87(78)92)132-63-72-24-6-2-7-25-72/h2-20,24-34,36-44,52-57,59-61,81-82,98H,21-23,35,45-51,58,62-71H2,1H3/t81-,82+,98?,115+/m1/s1
InChIKeyBWRNXYFNWBPNMO-PEILFSNPSA-N
MW1868.12 g/mol
LogP23.90
Rot. Bonds32

About 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-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-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine (PubChem CID 170244831) has the molecular formula C115H98F4N12O9 and a molecular weight of 1868.12 g/mol. Its IUPAC name is 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
PubChem CID170244831
Molecular FormulaC115H98F4N12O9
Molecular Weight1868.12 g/mol
Exact Mass1866.75
IUPAC Name8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
SMILESCN1CCC[C@H]1COc1nc(OCc2ccccc2)c2cnc(-c3cc(OCc4ccccc4-c4ccc(COc5nc(OCC67CCCN6CCC7)nc6c(F)c(-c7cc(OCc8ccccc8)cc8c(C9CC[C@@]%10(COc%11nc(OCc%12ccccc%12)c%12cnc(-c%13cc(OCc%14ccccc%14)cc%14ccccc%13%14)c(F)c%12n%11)C[C@@H](F)CN9%10)cccc78)ncc56)cc4)cc4ccccc34)c(F)c2n1
InChIInChI=1S/C115H98F4N12O9/c1-129-49-21-35-82(129)69-138-111-123-105-95(108(126-111)135-65-74-28-10-4-11-29-74)59-120-103(99(105)117)93-56-84(53-79-33-15-19-38-88(79)93)134-68-80-34-16-17-36-86(80)77-43-41-76(42-44-77)67-137-110-97-61-122-104(101(119)107(97)124-112(127-110)139-70-114-46-22-50-130(114)51-23-47-114)94-57-85(133-64-73-26-8-3-9-27-73)54-91-89(94)39-20-40-90(91)98-45-48-115(58-81(116)62-131(98)115)71-140-113-125-106-96(109(128-113)136-66-75-30-12-5-13-31-75)60-121-102(100(106)118)92-55-83(52-78-32-14-18-37-87(78)92)132-63-72-24-6-2-7-25-72/h2-20,24-34,36-44,52-57,59-61,81-82,98H,21-23,35,45-51,58,62-71H2,1H3/t81-,82+,98?,115+/m1/s1
InChIKeyBWRNXYFNWBPNMO-PEILFSNPSA-N
XLogP23.90
TPSA208.80 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.12
LogP ≤ 523.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine (CID 170244831) is 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine is CN1CCC[C@H]1COc1nc(OCc2ccccc2)c2cnc(-c3cc(OCc4ccccc4-c4ccc(COc5nc(OCC67CCCN6CCC7)nc6c(F)c(-c7cc(OCc8ccccc8)cc8c(C9CC[C@@]%10(COc%11nc(OCc%12ccccc%12)c%12cnc(-c%13cc(OCc%14ccccc%14)cc%14ccccc%13%14)c(F)c%12n%11)C[C@@H](F)CN9%10)cccc78)ncc56)cc4)cc4ccccc34)c(F)c2n1.
What is the InChIKey of 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine?
The InChIKey is BWRNXYFNWBPNMO-PEILFSNPSA-N. The full InChI is InChI=1S/C115H98F4N12O9/c1-129-49-21-35-82(129)69-138-111-123-105-95(108(126-111)135-65-74-28-10-4-11-29-74)59-120-103(99(105)117)93-56-84(53-79-33-15-19-38-88(79)93)134-68-80-34-16-17-36-86(80)77-43-41-76(42-44-77)67-137-110-97-61-122-104(101(119)107(97)124-112(127-110)139-70-114-46-22-50-130(114)51-23-47-114)94-57-85(133-64-73-26-8-3-9-27-73)54-91-89(94)39-20-40-90(91)98-45-48-115(58-81(116)62-131(98)115)71-140-113-125-106-96(109(128-113)136-66-75-30-12-5-13-31-75)60-121-102(100(106)118)92-55-83(52-78-32-14-18-37-87(78)92)132-63-72-24-6-2-7-25-72/h2-20,24-34,36-44,52-57,59-61,81-82,98H,21-23,35,45-51,58,62-71H2,1H3/t81-,82+,98?,115+/m1/s1.
What are the key properties of 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-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-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine has a molecular weight of 1868.12 g/mol, XLogP of 23.90, 32 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[[(2R,8S)-2-fluoro-5-[5-[8-fluoro-4-[[4-[2-[[4-[8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-yl]oxymethyl]phenyl]phenyl]methoxy]-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]-7-phenylmethoxynaphthalen-1-yl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-phenylmethoxy-7-(3-phenylmethoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 170244831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).