N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide

C49H54F2N10O6 — CID 156523830

IUPACN-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide
SMILESC#CCC1COCCN1c1ccc2cncc(C(=O)Nc3cn(C4CCC(CN5CCC6(CC5)CC(CNc5cccc7c5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)nc3C(F)F)c2n1
InChIInChI=1S/C49H54F2N10O6/c1-2-4-33-28-67-20-19-59(33)39-13-9-31-24-52-25-35(42(31)55-39)45(63)54-37-27-60(57-43(37)44(50)51)32-10-7-29(8-11-32)26-58-17-15-49(16-18-58)21-30(22-49)23-53-36-6-3-5-34-41(36)48(66)61(47(34)65)38-12-14-40(62)56-46(38)64/h1,3,5-6,9,13,24-25,27,29-30,32-33,38,44,53H,4,7-8,10-12,14-23,26,28H2,(H,54,63)(H,56,62,64)
InChIKeyXLKYEWXMIKWDDG-UHFFFAOYSA-N
MW917.03 g/mol
LogP5.98
Rot. Bonds12

About N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide

N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide (PubChem CID 156523830) has the molecular formula C49H54F2N10O6 and a molecular weight of 917.03 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide
PubChem CID156523830
Molecular FormulaC49H54F2N10O6
Molecular Weight917.03 g/mol
Exact Mass916.42
IUPAC NameN-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide
SMILESC#CCC1COCCN1c1ccc2cncc(C(=O)Nc3cn(C4CCC(CN5CCC6(CC5)CC(CNc5cccc7c5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)nc3C(F)F)c2n1
InChIInChI=1S/C49H54F2N10O6/c1-2-4-33-28-67-20-19-59(33)39-13-9-31-24-52-25-35(42(31)55-39)45(63)54-37-27-60(57-43(37)44(50)51)32-10-7-29(8-11-32)26-58-17-15-49(16-18-58)21-30(22-49)23-53-36-6-3-5-34-41(36)48(66)61(47(34)65)38-12-14-40(62)56-46(38)64/h1,3,5-6,9,13,24-25,27,29-30,32-33,38,44,53H,4,7-8,10-12,14-23,26,28H2,(H,54,63)(H,56,62,64)
InChIKeyXLKYEWXMIKWDDG-UHFFFAOYSA-N
XLogP5.98
TPSA183.99 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.03
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide (CID 156523830) is N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide is C#CCC1COCCN1c1ccc2cncc(C(=O)Nc3cn(C4CCC(CN5CCC6(CC5)CC(CNc5cccc7c5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)nc3C(F)F)c2n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide?
The InChIKey is XLKYEWXMIKWDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H54F2N10O6/c1-2-4-33-28-67-20-19-59(33)39-13-9-31-24-52-25-35(42(31)55-39)45(63)54-37-27-60(57-43(37)44(50)51)32-10-7-29(8-11-32)26-58-17-15-49(16-18-58)21-30(22-49)23-53-36-6-3-5-34-41(36)48(66)61(47(34)65)38-12-14-40(62)56-46(38)64/h1,3,5-6,9,13,24-25,27,29-30,32-33,38,44,53H,4,7-8,10-12,14-23,26,28H2,(H,54,63)(H,56,62,64).
What are the key properties of N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide?
N-[3-(difluoromethyl)-1-[4-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide has a molecular weight of 917.03 g/mol, XLogP of 5.98, 12 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-[[2-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]pyrazol-4-yl]-2-(3-prop-2-ynylmorpholin-4-yl)-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 156523830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).