N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C74H76F6N20O8 — CID 167107304

IUPACN-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn([C@@H]3CC[C@@H](CN4CCN(c5cccn6c(N7CCC(=O)NC7=O)cnc56)CC4)C(C4C[C@@H](n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(OC)cc6n5)CC[C@@H]4CN4CCN(c5ccn6c(N7CCC(=O)NC7=O)cnc6c5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C74H76F6N20O8/c1-107-59-35-54-45(30-56(59)85-69(103)52-6-3-9-61(83-52)73(75,76)77)41-99(89-54)48-13-11-43(39-91-22-26-93(27-23-91)47-15-19-95-63(34-47)81-37-66(95)97-20-16-64(101)87-71(97)105)50(32-48)51-33-49(100-42-46-31-57(60(108-2)36-55(46)90-100)86-70(104)53-7-4-10-62(84-53)74(78,79)80)14-12-44(51)40-92-24-28-94(29-25-92)58-8-5-18-96-67(38-82-68(58)96)98-21-17-65(102)88-72(98)106/h3-10,15,18-19,30-31,34-38,41-44,48-51H,11-14,16-17,20-29,32-33,39-40H2,1-2H3,(H,85,103)(H,86,104)(H,87,101,105)(H,88,102,106)/t43-,44+,48+,49-,50?,51?/m1/s1
InChIKeyNFCXXOVPALPWJJ-SNRMFJIWSA-N
MW1487.54 g/mol
LogP10.18
Rot. Bonds17

About N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167107304) has the molecular formula C74H76F6N20O8 and a molecular weight of 1487.54 g/mol. Its IUPAC name is N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167107304
Molecular FormulaC74H76F6N20O8
Molecular Weight1487.54 g/mol
Exact Mass1486.61
IUPAC NameN-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn([C@@H]3CC[C@@H](CN4CCN(c5cccn6c(N7CCC(=O)NC7=O)cnc56)CC4)C(C4C[C@@H](n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(OC)cc6n5)CC[C@@H]4CN4CCN(c5ccn6c(N7CCC(=O)NC7=O)cnc6c5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C74H76F6N20O8/c1-107-59-35-54-45(30-56(59)85-69(103)52-6-3-9-61(83-52)73(75,76)77)41-99(89-54)48-13-11-43(39-91-22-26-93(27-23-91)47-15-19-95-63(34-47)81-37-66(95)97-20-16-64(101)87-71(97)105)50(32-48)51-33-49(100-42-46-31-57(60(108-2)36-55(46)90-100)86-70(104)53-7-4-10-62(84-53)74(78,79)80)14-12-44(51)40-92-24-28-94(29-25-92)58-8-5-18-96-67(38-82-68(58)96)98-21-17-65(102)88-72(98)106/h3-10,15,18-19,30-31,34-38,41-44,48-51H,11-14,16-17,20-29,32-33,39-40H2,1-2H3,(H,85,103)(H,86,104)(H,87,101,105)(H,88,102,106)/t43-,44+,48+,49-,50?,51?/m1/s1
InChIKeyNFCXXOVPALPWJJ-SNRMFJIWSA-N
XLogP10.18
TPSA284.46 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.54
LogP ≤ 510.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167107304) is N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn([C@@H]3CC[C@@H](CN4CCN(c5cccn6c(N7CCC(=O)NC7=O)cnc56)CC4)C(C4C[C@@H](n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(OC)cc6n5)CC[C@@H]4CN4CCN(c5ccn6c(N7CCC(=O)NC7=O)cnc6c5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NFCXXOVPALPWJJ-SNRMFJIWSA-N. The full InChI is InChI=1S/C74H76F6N20O8/c1-107-59-35-54-45(30-56(59)85-69(103)52-6-3-9-61(83-52)73(75,76)77)41-99(89-54)48-13-11-43(39-91-22-26-93(27-23-91)47-15-19-95-63(34-47)81-37-66(95)97-20-16-64(101)87-71(97)105)50(32-48)51-33-49(100-42-46-31-57(60(108-2)36-55(46)90-100)86-70(104)53-7-4-10-62(84-53)74(78,79)80)14-12-44(51)40-92-24-28-94(29-25-92)58-8-5-18-96-67(38-82-68(58)96)98-21-17-65(102)88-72(98)106/h3-10,15,18-19,30-31,34-38,41-44,48-51H,11-14,16-17,20-29,32-33,39-40H2,1-2H3,(H,85,103)(H,86,104)(H,87,101,105)(H,88,102,106)/t43-,44+,48+,49-,50?,51?/m1/s1.
What are the key properties of N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 1487.54 g/mol, XLogP of 10.18, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,4S)-4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]methyl]-3-[(2R,5R)-2-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-5-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167107304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).