N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide

C23H31FN4O3 — CID 122497673

IUPACN-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2ncc(-c3ncc(C(C)C)cn3)cc2F)CC1
InChIInChI=1S/C23H31FN4O3/c1-14(2)18-11-25-22(26-12-18)17-9-21(24)23(27-10-17)31-20-7-5-19(6-8-20)30-13-15(3)28-16(4)29/h9-12,14-15,19-20H,5-8,13H2,1-4H3,(H,28,29)/t15-,19?,20?/m0/s1
InChIKeyYUQWLHNWCOPDRT-VMEOHVCESA-N
MW430.52 g/mol
LogP4.03
Rot. Bonds8

About N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497673) has the molecular formula C23H31FN4O3 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497673
Molecular FormulaC23H31FN4O3
Molecular Weight430.52 g/mol
Exact Mass430.24
IUPAC NameN-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2ncc(-c3ncc(C(C)C)cn3)cc2F)CC1
InChIInChI=1S/C23H31FN4O3/c1-14(2)18-11-25-22(26-12-18)17-9-21(24)23(27-10-17)31-20-7-5-19(6-8-20)30-13-15(3)28-16(4)29/h9-12,14-15,19-20H,5-8,13H2,1-4H3,(H,28,29)/t15-,19?,20?/m0/s1
InChIKeyYUQWLHNWCOPDRT-VMEOHVCESA-N
XLogP4.03
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxypropyl)-2-{4-[4-(2-pyridinyl)-2-pyrimidinyl]phenoxy}acetamide
CID 4252590
(S)-3-(2-((S)-1-(6-(4-fluorophenoxy)pyridin-3-yl)ethylamino)pyrimidin-4-yl)-4-isopropyloxazolidin-2-one
CID 86730283
(4S)-3-[2-[[(1S)-1-(6-phenoxy-3-pyridinyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489989
N-[(1S)-1-[4-[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89622351
N-[1-[4-[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89622352
N-[1-[4-[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89643404
N-[(1S)-1-[4-[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89643644
N-[(1S)-1-[4-[1-(5-tert-butylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89643646
N-[(1S)-1-[4-[1-[5-(4-fluorophenyl)pyrimidin-2-yl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89643657
(4S)-3-[5-fluoro-2-[[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349519
N-[(1S)-1-[4-[(3R)-1-(3-fluoro-2-piperidin-1-yl-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668673
N-[(1S)-1-[4-[(3R)-1-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91668980

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 122497673) is N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2ncc(-c3ncc(C(C)C)cn3)cc2F)CC1.
What is the InChIKey of N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is YUQWLHNWCOPDRT-VMEOHVCESA-N. The full InChI is InChI=1S/C23H31FN4O3/c1-14(2)18-11-25-22(26-12-18)17-9-21(24)23(27-10-17)31-20-7-5-19(6-8-20)30-13-15(3)28-16(4)29/h9-12,14-15,19-20H,5-8,13H2,1-4H3,(H,28,29)/t15-,19?,20?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 430.52 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[[3-fluoro-5-(5-propan-2-ylpyrimidin-2-yl)-2-pyridinyl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).