2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline

C23H19FN4O — CID 90182227

IUPAC2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
SMILESCc1ncc(-c2ncccc2F)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
InChIInChI=1S/C23H19FN4O/c1-14-26-12-18(22-19(24)6-4-10-25-22)23(27-14)29-13-16-11-17(16)21-9-8-15-5-2-3-7-20(15)28-21/h2-10,12,16-17H,11,13H2,1H3/t16-,17+/m1/s1
InChIKeyBCOLSVAOAOVZAH-SJORKVTESA-N
MW386.43 g/mol
LogP4.72
Rot. Bonds5

About 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline

2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline (PubChem CID 90182227) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline.

Molecular Properties

Compound Name2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
PubChem CID90182227
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
SMILESCc1ncc(-c2ncccc2F)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
InChIInChI=1S/C23H19FN4O/c1-14-26-12-18(22-19(24)6-4-10-25-22)23(27-14)29-13-16-11-17(16)21-9-8-15-5-2-3-7-20(15)28-21/h2-10,12,16-17H,11,13H2,1H3/t16-,17+/m1/s1
InChIKeyBCOLSVAOAOVZAH-SJORKVTESA-N
XLogP4.72
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11495114
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CID 16748085
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CID 71455625
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CID 71457409
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CID 72698087
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The IUPAC name of 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline (CID 90182227) is 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline.
What is the SMILES notation for 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The canonical SMILES for 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline is Cc1ncc(-c2ncccc2F)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The InChIKey is BCOLSVAOAOVZAH-SJORKVTESA-N. The full InChI is InChI=1S/C23H19FN4O/c1-14-26-12-18(22-19(24)6-4-10-25-22)23(27-14)29-13-16-11-17(16)21-9-8-15-5-2-3-7-20(15)28-21/h2-10,12,16-17H,11,13H2,1H3/t16-,17+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline has a molecular weight of 386.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-[[5-(3-fluoro-2-pyridinyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline is sourced from PubChem (CID 90182227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).