N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide

C43H44F4N10O6 — CID 154655780

IUPACN-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CN(C(C)=O)C3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C4CN(CCOC)C4)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1
InChIInChI=1S/C43H44F4N10O6/c1-4-62-36-14-38-51-33(27-18-55(19-27)24(2)58)21-57(38)22-34(36)53-43(60)31-13-25(12-30(49-31)41(46)47)8-10-63-37-15-39-50-32(26-16-54(17-26)9-11-61-3)20-56(39)23-35(37)52-42(59)29-7-5-6-28(48-29)40(44)45/h5-7,12-15,20-23,26-27,40-41H,4,8-11,16-19H2,1-3H3,(H,52,59)(H,53,60)
InChIKeyGNLGJWWTBWDZDJ-UHFFFAOYSA-N
MW872.88 g/mol
LogP6.16
Rot. Bonds17

About N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide

N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide (PubChem CID 154655780) has the molecular formula C43H44F4N10O6 and a molecular weight of 872.88 g/mol. Its IUPAC name is N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide
PubChem CID154655780
Molecular FormulaC43H44F4N10O6
Molecular Weight872.88 g/mol
Exact Mass872.34
IUPAC NameN-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3CN(C(C)=O)C3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C4CN(CCOC)C4)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1
InChIInChI=1S/C43H44F4N10O6/c1-4-62-36-14-38-51-33(27-18-55(19-27)24(2)58)21-57(38)22-34(36)53-43(60)31-13-25(12-30(49-31)41(46)47)8-10-63-37-15-39-50-32(26-16-54(17-26)9-11-61-3)20-56(39)23-35(37)52-42(59)29-7-5-6-28(48-29)40(44)45/h5-7,12-15,20-23,26-27,40-41H,4,8-11,16-19H2,1-3H3,(H,52,59)(H,53,60)
InChIKeyGNLGJWWTBWDZDJ-UHFFFAOYSA-N
XLogP6.16
TPSA169.82 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500872.88
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide (CID 154655780) is N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide is CCOc1cc2nc(C3CN(C(C)=O)C3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C4CN(CCOC)C4)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1.
What is the InChIKey of N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide?
The InChIKey is GNLGJWWTBWDZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44F4N10O6/c1-4-62-36-14-38-51-33(27-18-55(19-27)24(2)58)21-57(38)22-34(36)53-43(60)31-13-25(12-30(49-31)41(46)47)8-10-63-37-15-39-50-32(26-16-54(17-26)9-11-61-3)20-56(39)23-35(37)52-42(59)29-7-5-6-28(48-29)40(44)45/h5-7,12-15,20-23,26-27,40-41H,4,8-11,16-19H2,1-3H3,(H,52,59)(H,53,60).
What are the key properties of N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide?
N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide has a molecular weight of 872.88 g/mol, XLogP of 6.16, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetylazetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-[1-(2-methoxyethyl)azetidin-3-yl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 154655780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).