N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide

C44H50F2N10O6 — CID 156523624

IUPACN-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide
SMILESCN(CC1CCC(n2cc(NC(=O)c3ccnc4ccc(N5CCOCC5)nc34)c(C(F)F)n2)CC1)C1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C44H50F2N10O6/c1-53(27-11-7-26(8-12-27)48-31-4-2-3-29-37(31)44(61)56(43(29)60)34-14-16-36(57)51-42(34)59)23-25-5-9-28(10-6-25)55-24-33(39(52-55)40(45)46)49-41(58)30-17-18-47-32-13-15-35(50-38(30)32)54-19-21-62-22-20-54/h2-4,13,15,17-18,24-28,34,40,48H,5-12,14,16,19-23H2,1H3,(H,49,58)(H,51,57,59)
InChIKeyPAMKHTPBYXFJKY-UHFFFAOYSA-N
MW852.94 g/mol
LogP5.34
Rot. Bonds11

About N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide

N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide (PubChem CID 156523624) has the molecular formula C44H50F2N10O6 and a molecular weight of 852.94 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide
PubChem CID156523624
Molecular FormulaC44H50F2N10O6
Molecular Weight852.94 g/mol
Exact Mass852.39
IUPAC NameN-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide
SMILESCN(CC1CCC(n2cc(NC(=O)c3ccnc4ccc(N5CCOCC5)nc34)c(C(F)F)n2)CC1)C1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C44H50F2N10O6/c1-53(27-11-7-26(8-12-27)48-31-4-2-3-29-37(31)44(61)56(43(29)60)34-14-16-36(57)51-42(34)59)23-25-5-9-28(10-6-25)55-24-33(39(52-55)40(45)46)49-41(58)30-17-18-47-32-13-15-35(50-38(30)32)54-19-21-62-22-20-54/h2-4,13,15,17-18,24-28,34,40,48H,5-12,14,16,19-23H2,1H3,(H,49,58)(H,51,57,59)
InChIKeyPAMKHTPBYXFJKY-UHFFFAOYSA-N
XLogP5.34
TPSA183.99 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.94
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide (CID 156523624) is N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide is CN(CC1CCC(n2cc(NC(=O)c3ccnc4ccc(N5CCOCC5)nc34)c(C(F)F)n2)CC1)C1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide?
The InChIKey is PAMKHTPBYXFJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50F2N10O6/c1-53(27-11-7-26(8-12-27)48-31-4-2-3-29-37(31)44(61)56(43(29)60)34-14-16-36(57)51-42(34)59)23-25-5-9-28(10-6-25)55-24-33(39(52-55)40(45)46)49-41(58)30-17-18-47-32-13-15-35(50-38(30)32)54-19-21-62-22-20-54/h2-4,13,15,17-18,24-28,34,40,48H,5-12,14,16,19-23H2,1H3,(H,49,58)(H,51,57,59).
What are the key properties of N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide?
N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide has a molecular weight of 852.94 g/mol, XLogP of 5.34, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-6-morpholin-4-yl-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 156523624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).