N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

C21H31FN4O4 — CID 122497739

IUPACN-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCCCOc1nc2cc(F)c(OC3CCC(OC[C@H](C)NC(C)=O)CC3)nc2n1C
InChIInChI=1S/C21H31FN4O4/c1-5-10-28-21-24-18-11-17(22)20(25-19(18)26(21)4)30-16-8-6-15(7-9-16)29-12-13(2)23-14(3)27/h11,13,15-16H,5-10,12H2,1-4H3,(H,23,27)/t13-,15?,16?/m0/s1
InChIKeyMHZIPDDXFXYZDI-JEYLPNPQSA-N
MW422.50 g/mol
LogP3.13
Rot. Bonds9

About N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497739) has the molecular formula C21H31FN4O4 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497739
Molecular FormulaC21H31FN4O4
Molecular Weight422.50 g/mol
Exact Mass422.23
IUPAC NameN-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
SMILESCCCOc1nc2cc(F)c(OC3CCC(OC[C@H](C)NC(C)=O)CC3)nc2n1C
InChIInChI=1S/C21H31FN4O4/c1-5-10-28-21-24-18-11-17(22)20(25-19(18)26(21)4)30-16-8-6-15(7-9-16)29-12-13(2)23-14(3)27/h11,13,15-16H,5-10,12H2,1-4H3,(H,23,27)/t13-,15?,16?/m0/s1
InChIKeyMHZIPDDXFXYZDI-JEYLPNPQSA-N
XLogP3.13
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide (CID 122497739) is N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is CCCOc1nc2cc(F)c(OC3CCC(OC[C@H](C)NC(C)=O)CC3)nc2n1C.
What is the InChIKey of N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is MHZIPDDXFXYZDI-JEYLPNPQSA-N. The full InChI is InChI=1S/C21H31FN4O4/c1-5-10-28-21-24-18-11-17(22)20(25-19(18)26(21)4)30-16-8-6-15(7-9-16)29-12-13(2)23-14(3)27/h11,13,15-16H,5-10,12H2,1-4H3,(H,23,27)/t13-,15?,16?/m0/s1.
What are the key properties of N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(6-fluoro-3-methyl-2-propoxyimidazo[4,5-b]pyridin-5-yl)oxycyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).