2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide

C85H74F6N16O6S — CID 155403472

IUPAC2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide
SMILESCC1(CCn2cc(-c3ccc4c(-c5cc(NCC(O)CO)cc(-c6ccc(F)cc6F)c5)cnn4c3)cn2)OCC(CNc2cc(-c3ccc(F)cc3F)cc(-c3cnn4cc(-c5cnn(CC6CC6S(=O)(=O)Nc6cc(-c7ccc(F)cc7F)cc(-c7cnn8cc(-c9cnn(C%10CCNCC%10)c9)ccc78)c6)c5)ccc34)c2)O1
InChIInChI=1S/C85H74F6N16O6S/c1-85(16-19-102-42-60(33-95-102)50-2-11-81-75(38-98-105(81)44-50)56-20-53(72-8-5-63(86)30-78(72)89)23-66(25-56)93-36-70(109)48-108)112-49-71(113-85)37-94-67-24-54(73-9-6-64(87)31-79(73)90)21-57(26-67)76-39-99-106-45-51(3-12-82(76)106)61-34-96-103(43-61)41-59-29-84(59)114(110,111)101-68-27-55(74-10-7-65(88)32-80(74)91)22-58(28-68)77-40-100-107-46-52(4-13-83(77)107)62-35-97-104(47-62)69-14-17-92-18-15-69/h2-13,20-28,30-35,38-40,42-47,59,69-71,84,92-94,101,108-109H,14-19,29,36-37,41,48-49H2,1H3
InChIKeyPHCPFXNTARPYDU-UHFFFAOYSA-N
MW1561.69 g/mol
LogP15.21
Rot. Bonds25

About 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide

2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide (PubChem CID 155403472) has the molecular formula C85H74F6N16O6S and a molecular weight of 1561.69 g/mol. Its IUPAC name is 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide
PubChem CID155403472
Molecular FormulaC85H74F6N16O6S
Molecular Weight1561.69 g/mol
Exact Mass1560.56
IUPAC Name2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide
SMILESCC1(CCn2cc(-c3ccc4c(-c5cc(NCC(O)CO)cc(-c6ccc(F)cc6F)c5)cnn4c3)cn2)OCC(CNc2cc(-c3ccc(F)cc3F)cc(-c3cnn4cc(-c5cnn(CC6CC6S(=O)(=O)Nc6cc(-c7ccc(F)cc7F)cc(-c7cnn8cc(-c9cnn(C%10CCNCC%10)c9)ccc78)c6)c5)ccc34)c2)O1
InChIInChI=1S/C85H74F6N16O6S/c1-85(16-19-102-42-60(33-95-102)50-2-11-81-75(38-98-105(81)44-50)56-20-53(72-8-5-63(86)30-78(72)89)23-66(25-56)93-36-70(109)48-108)112-49-71(113-85)37-94-67-24-54(73-9-6-64(87)31-79(73)90)21-57(26-67)76-39-99-106-45-51(3-12-82(76)106)61-34-96-103(43-61)41-59-29-84(59)114(110,111)101-68-27-55(74-10-7-65(88)32-80(74)91)22-58(28-68)77-40-100-107-46-52(4-13-83(77)107)62-35-97-104(47-62)69-14-17-92-18-15-69/h2-13,20-28,30-35,38-40,42-47,59,69-71,84,92-94,101,108-109H,14-19,29,36-37,41,48-49H2,1H3
InChIKeyPHCPFXNTARPYDU-UHFFFAOYSA-N
XLogP15.21
TPSA246.54 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001561.69
LogP ≤ 515.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide?
The IUPAC name of 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide (CID 155403472) is 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide?
The canonical SMILES for 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide is CC1(CCn2cc(-c3ccc4c(-c5cc(NCC(O)CO)cc(-c6ccc(F)cc6F)c5)cnn4c3)cn2)OCC(CNc2cc(-c3ccc(F)cc3F)cc(-c3cnn4cc(-c5cnn(CC6CC6S(=O)(=O)Nc6cc(-c7ccc(F)cc7F)cc(-c7cnn8cc(-c9cnn(C%10CCNCC%10)c9)ccc78)c6)c5)ccc34)c2)O1.
What is the InChIKey of 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide?
The InChIKey is PHCPFXNTARPYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H74F6N16O6S/c1-85(16-19-102-42-60(33-95-102)50-2-11-81-75(38-98-105(81)44-50)56-20-53(72-8-5-63(86)30-78(72)89)23-66(25-56)93-36-70(109)48-108)112-49-71(113-85)37-94-67-24-54(73-9-6-64(87)31-79(73)90)21-57(26-67)76-39-99-106-45-51(3-12-82(76)106)61-34-96-103(43-61)41-59-29-84(59)114(110,111)101-68-27-55(74-10-7-65(88)32-80(74)91)22-58(28-68)77-40-100-107-46-52(4-13-83(77)107)62-35-97-104(47-62)69-14-17-92-18-15-69/h2-13,20-28,30-35,38-40,42-47,59,69-71,84,92-94,101,108-109H,14-19,29,36-37,41,48-49H2,1H3.
What are the key properties of 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide?
2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide has a molecular weight of 1561.69 g/mol, XLogP of 15.21, 25 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[3-(2,4-difluorophenyl)-5-[[2-[2-[4-[3-[3-(2,4-difluorophenyl)-5-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]ethyl]-2-methyl-1,3-dioxolan-4-yl]methylamino]phenyl]pyrazolo[1,5-a]pyridin-6-yl]pyrazol-1-yl]methyl]-N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 155403472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).