3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

C91H79F8N19 — CID 137391920

IUPAC3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(CC3(F)CCCC3c3ccnc4cc(-c5nc(C)ccc5-c5cnn(CC6(F)CCCC6n6cnc7cc(-c8nc(C)ccc8-c8cnn(CC9(F)CCCC9n9cnc%10cc(-c%11nc(C)ccc%11-c%11cnn(CC%12(F)CCCC%12)c%11F)ccc%109)c8F)cnc76)c5F)ccc34)c2)c(-c2ccc3cc(F)cnc3c2)n1
InChIInChI=1S/C91H79F8N19/c1-52-13-21-63(80(109-52)57-18-17-56-34-62(92)41-101-73(56)35-57)61-40-105-113(45-61)47-89(97)30-7-10-72(89)64-27-33-100-74-36-58(19-25-65(64)74)81-67(23-15-53(2)110-81)70-43-107-118(85(70)94)49-91(99)32-9-12-79(91)115-51-104-76-38-60(39-102-87(76)115)83-68(24-16-55(4)112-83)71-44-108-117(86(71)95)48-90(98)31-8-11-78(90)114-50-103-75-37-59(20-26-77(75)114)82-66(22-14-54(3)111-82)69-42-106-116(84(69)93)46-88(96)28-5-6-29-88/h13-27,33-45,50-51,72,78-79H,5-12,28-32,46-49H2,1-4H3
InChIKeyYVNQXVXRMZOBMJ-UHFFFAOYSA-N
MW1590.75 g/mol
LogP20.59
Rot. Bonds19

About 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline

3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (PubChem CID 137391920) has the molecular formula C91H79F8N19 and a molecular weight of 1590.75 g/mol. Its IUPAC name is 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.

Molecular Properties

Compound Name3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
PubChem CID137391920
Molecular FormulaC91H79F8N19
Molecular Weight1590.75 g/mol
Exact Mass1589.66
IUPAC Name3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
SMILESCc1ccc(-c2cnn(CC3(F)CCCC3c3ccnc4cc(-c5nc(C)ccc5-c5cnn(CC6(F)CCCC6n6cnc7cc(-c8nc(C)ccc8-c8cnn(CC9(F)CCCC9n9cnc%10cc(-c%11nc(C)ccc%11-c%11cnn(CC%12(F)CCCC%12)c%11F)ccc%109)c8F)cnc76)c5F)ccc34)c2)c(-c2ccc3cc(F)cnc3c2)n1
InChIInChI=1S/C91H79F8N19/c1-52-13-21-63(80(109-52)57-18-17-56-34-62(92)41-101-73(56)35-57)61-40-105-113(45-61)47-89(97)30-7-10-72(89)64-27-33-100-74-36-58(19-25-65(64)74)81-67(23-15-53(2)110-81)70-43-107-118(85(70)94)49-91(99)32-9-12-79(91)115-51-104-76-38-60(39-102-87(76)115)83-68(24-16-55(4)112-83)71-44-108-117(86(71)95)48-90(98)31-8-11-78(90)114-50-103-75-37-59(20-26-77(75)114)82-66(22-14-54(3)111-82)69-42-106-116(84(69)93)46-88(96)28-5-6-29-88/h13-27,33-45,50-51,72,78-79H,5-12,28-32,46-49H2,1-4H3
InChIKeyYVNQXVXRMZOBMJ-UHFFFAOYSA-N
XLogP20.59
TPSA197.15 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001590.75
LogP ≤ 520.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The IUPAC name of 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline (CID 137391920) is 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline.
What is the SMILES notation for 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The canonical SMILES for 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is Cc1ccc(-c2cnn(CC3(F)CCCC3c3ccnc4cc(-c5nc(C)ccc5-c5cnn(CC6(F)CCCC6n6cnc7cc(-c8nc(C)ccc8-c8cnn(CC9(F)CCCC9n9cnc%10cc(-c%11nc(C)ccc%11-c%11cnn(CC%12(F)CCCC%12)c%11F)ccc%109)c8F)cnc76)c5F)ccc34)c2)c(-c2ccc3cc(F)cnc3c2)n1.
What is the InChIKey of 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
The InChIKey is YVNQXVXRMZOBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H79F8N19/c1-52-13-21-63(80(109-52)57-18-17-56-34-62(92)41-101-73(56)35-57)61-40-105-113(45-61)47-89(97)30-7-10-72(89)64-27-33-100-74-36-58(19-25-65(64)74)81-67(23-15-53(2)110-81)70-43-107-118(85(70)94)49-91(99)32-9-12-79(91)115-51-104-76-38-60(39-102-87(76)115)83-68(24-16-55(4)112-83)71-44-108-117(86(71)95)48-90(98)31-8-11-78(90)114-50-103-75-37-59(20-26-77(75)114)82-66(22-14-54(3)111-82)69-42-106-116(84(69)93)46-88(96)28-5-6-29-88/h13-27,33-45,50-51,72,78-79H,5-12,28-32,46-49H2,1-4H3.
What are the key properties of 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline?
3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline has a molecular weight of 1590.75 g/mol, XLogP of 20.59, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-[3-[1-[[1-fluoro-2-[7-[3-[5-fluoro-1-[[1-fluoro-2-[6-[3-[5-fluoro-1-[[1-fluoro-2-[5-[3-[5-fluoro-1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]benzimidazol-1-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]imidazo[4,5-b]pyridin-3-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinolin-4-yl]cyclopentyl]methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline is sourced from PubChem (CID 137391920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).