benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate

C34H39F2N5O5 — CID 86724658

IUPACbenzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate
SMILESCCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(N3CCOCC3)cn12)NC(=O)OCc1ccccc1
InChIInChI=1S/C34H39F2N5O5/c1-4-13-34(3,39-33(43)46-20-24-9-6-5-7-10-24)22-37-32(42)30-23(2)38-31-29(45-21-26-27(35)11-8-12-28(26)36)18-25(19-41(30)31)40-14-16-44-17-15-40/h5-12,18-19H,4,13-17,20-22H2,1-3H3,(H,37,42)(H,39,43)
InChIKeyYPKPTSLJOBBRKA-UHFFFAOYSA-N
MW635.71 g/mol
LogP5.55
Rot. Bonds12

About benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate

benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate (PubChem CID 86724658) has the molecular formula C34H39F2N5O5 and a molecular weight of 635.71 g/mol. Its IUPAC name is benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate
PubChem CID86724658
Molecular FormulaC34H39F2N5O5
Molecular Weight635.71 g/mol
Exact Mass635.29
IUPAC Namebenzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate
SMILESCCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(N3CCOCC3)cn12)NC(=O)OCc1ccccc1
InChIInChI=1S/C34H39F2N5O5/c1-4-13-34(3,39-33(43)46-20-24-9-6-5-7-10-24)22-37-32(42)30-23(2)38-31-29(45-21-26-27(35)11-8-12-28(26)36)18-25(19-41(30)31)40-14-16-44-17-15-40/h5-12,18-19H,4,13-17,20-22H2,1-3H3,(H,37,42)(H,39,43)
InChIKeyYPKPTSLJOBBRKA-UHFFFAOYSA-N
XLogP5.55
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.71
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate (CID 86724658) is benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate is CCCC(C)(CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(N3CCOCC3)cn12)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate?
The InChIKey is YPKPTSLJOBBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F2N5O5/c1-4-13-34(3,39-33(43)46-20-24-9-6-5-7-10-24)22-37-32(42)30-23(2)38-31-29(45-21-26-27(35)11-8-12-28(26)36)18-25(19-41(30)31)40-14-16-44-17-15-40/h5-12,18-19H,4,13-17,20-22H2,1-3H3,(H,37,42)(H,39,43).
What are the key properties of benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate?
benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate has a molecular weight of 635.71 g/mol, XLogP of 5.55, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylpentan-2-yl]carbamate is sourced from PubChem (CID 86724658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).