N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide

C30H27FN8O3 — CID 177374644

IUPACN-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cn1
InChIInChI=1S/C30H27FN8O3/c1-18(31)25-17-42-30(41)39(25)27-11-12-33-29(37-27)35-19(2)24-9-5-21(15-34-24)20-3-7-23(8-4-20)36-28(40)22-6-10-26-32-13-14-38(26)16-22/h3-16,18-19,25H,17H2,1-2H3,(H,36,40)(H,33,35,37)/t18-,19-,25+/m0/s1
InChIKeyXWGZXLXHMOZVDZ-XHNVNVPESA-N
MW566.60 g/mol
LogP5.29
Rot. Bonds8

About N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 177374644) has the molecular formula C30H27FN8O3 and a molecular weight of 566.60 g/mol. Its IUPAC name is N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID177374644
Molecular FormulaC30H27FN8O3
Molecular Weight566.60 g/mol
Exact Mass566.22
IUPAC NameN-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cn1
InChIInChI=1S/C30H27FN8O3/c1-18(31)25-17-42-30(41)39(25)27-11-12-33-29(37-27)35-19(2)24-9-5-21(15-34-24)20-3-7-23(8-4-20)36-28(40)22-6-10-26-32-13-14-38(26)16-22/h3-16,18-19,25H,17H2,1-2H3,(H,36,40)(H,33,35,37)/t18-,19-,25+/m0/s1
InChIKeyXWGZXLXHMOZVDZ-XHNVNVPESA-N
XLogP5.29
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.60
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 177374644) is N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)c3ccc4nccn4c3)cc2)cn1.
What is the InChIKey of N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is XWGZXLXHMOZVDZ-XHNVNVPESA-N. The full InChI is InChI=1S/C30H27FN8O3/c1-18(31)25-17-42-30(41)39(25)27-11-12-33-29(37-27)35-19(2)24-9-5-21(15-34-24)20-3-7-23(8-4-20)36-28(40)22-6-10-26-32-13-14-38(26)16-22/h3-16,18-19,25H,17H2,1-2H3,(H,36,40)(H,33,35,37)/t18-,19-,25+/m0/s1.
What are the key properties of N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 566.60 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(1S)-1-[[4-[(4R)-4-[(1S)-1-fluoroethyl]-2-oxo-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-3-pyridinyl]phenyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 177374644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).