N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide

C18H20F2N6O3S — CID 139344336

IUPACN-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C18H20F2N6O3S/c1-30(27,28)23-8-13-11-25(6-7-29-13)18-21-5-4-14(24-18)15-9-22-16-3-2-12(17(19)20)10-26(15)16/h2-5,9-10,13,17,23H,6-8,11H2,1H3/t13-/m1/s1
InChIKeyYKXJPSICHLYLNE-CYBMUJFWSA-N
MW438.46 g/mol
LogP1.48
Rot. Bonds6

About N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide

N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 139344336) has the molecular formula C18H20F2N6O3S and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide
PubChem CID139344336
Molecular FormulaC18H20F2N6O3S
Molecular Weight438.46 g/mol
Exact Mass438.13
IUPAC NameN-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)F)cn34)n2)CCO1
InChIInChI=1S/C18H20F2N6O3S/c1-30(27,28)23-8-13-11-25(6-7-29-13)18-21-5-4-14(24-18)15-9-22-16-3-2-12(17(19)20)10-26(15)16/h2-5,9-10,13,17,23H,6-8,11H2,1H3/t13-/m1/s1
InChIKeyYKXJPSICHLYLNE-CYBMUJFWSA-N
XLogP1.48
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 139344336) is N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CN(c2nccc(-c3cnc4ccc(C(F)F)cn34)n2)CCO1.
What is the InChIKey of N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is YKXJPSICHLYLNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20F2N6O3S/c1-30(27,28)23-8-13-11-25(6-7-29-13)18-21-5-4-14(24-18)15-9-22-16-3-2-12(17(19)20)10-26(15)16/h2-5,9-10,13,17,23H,6-8,11H2,1H3/t13-/m1/s1.
What are the key properties of N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide?
N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 438.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139344336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).