CID 175739360

C16H19FLiN2O4 — CID 175739360

IUPAC—
SMILESCC(C)Oc1c(C(=O)O)cn2cc(C3CCOCC3)nc2c1F.[Li]
InChIInChI=1S/C16H19FN2O4.Li/c1-9(2)23-14-11(16(20)21)7-19-8-12(18-15(19)13(14)17)10-3-5-22-6-4-10;/h7-10H,3-6H2,1-2H3,(H,20,21);
InChIKeyHQHZSPYDVZVYOS-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.47
Rot. Bonds4

About CID 175739360

CID 175739360 (PubChem CID 175739360) has the molecular formula C16H19FLiN2O4 and a molecular weight of 329.28 g/mol.

Molecular Properties

Compound NameCID 175739360
PubChem CID175739360
Molecular FormulaC16H19FLiN2O4
Molecular Weight329.28 g/mol
Exact Mass329.15
IUPAC Name—
SMILESCC(C)Oc1c(C(=O)O)cn2cc(C3CCOCC3)nc2c1F.[Li]
InChIInChI=1S/C16H19FN2O4.Li/c1-9(2)23-14-11(16(20)21)7-19-8-12(18-15(19)13(14)17)10-3-5-22-6-4-10;/h7-10H,3-6H2,1-2H3,(H,20,21);
InChIKeyHQHZSPYDVZVYOS-UHFFFAOYSA-N
XLogP2.47
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carboxamide
CID 154655303
N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide
CID 154655177
6-bromo-8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazine
CID 154655093
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998213
N-(3,4-difluoro-2-methylphenyl)-7-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 155437415
2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 155443896
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164991172
6-(difluoromethyl)-N-[2-(oxolan-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655212
1-(1-methylpyrazol-3-yl)-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164993715
2-(oxolan-3-ylmethyl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 164554836
2-[1-[7-methyl-2-(oxan-4-yl)-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethylamino]benzoic acid
CID 170971684
2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(6-propan-2-yl-2-pyridinyl)ethanone
CID 165031668

Frequently Asked Questions

What is the IUPAC name of CID 175739360?
The IUPAC name of CID 175739360 (CID 175739360) is not available.
What is the SMILES notation for CID 175739360?
The canonical SMILES for CID 175739360 is CC(C)Oc1c(C(=O)O)cn2cc(C3CCOCC3)nc2c1F.[Li].
What is the InChIKey of CID 175739360?
The InChIKey is HQHZSPYDVZVYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4.Li/c1-9(2)23-14-11(16(20)21)7-19-8-12(18-15(19)13(14)17)10-3-5-22-6-4-10;/h7-10H,3-6H2,1-2H3,(H,20,21);.
What are the key properties of CID 175739360?
CID 175739360 has a molecular weight of 329.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175739360 is sourced from PubChem (CID 175739360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).