3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid

C23H29N3O4 — CID 146316732

IUPAC3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid
SMILESCOc1ccnc(C2CCC(COc3cc(C(CC(=O)O)C4CC4)ccn3)CC2)n1
InChIInChI=1S/C23H29N3O4/c1-29-20-9-11-25-23(26-20)17-4-2-15(3-5-17)14-30-21-12-18(8-10-24-21)19(13-22(27)28)16-6-7-16/h8-12,15-17,19H,2-7,13-14H2,1H3,(H,27,28)
InChIKeyVNSHTGZEQZXNCZ-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.20
Rot. Bonds9

About 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid

3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid (PubChem CID 146316732) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid
PubChem CID146316732
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid
SMILESCOc1ccnc(C2CCC(COc3cc(C(CC(=O)O)C4CC4)ccn3)CC2)n1
InChIInChI=1S/C23H29N3O4/c1-29-20-9-11-25-23(26-20)17-4-2-15(3-5-17)14-30-21-12-18(8-10-24-21)19(13-22(27)28)16-6-7-16/h8-12,15-17,19H,2-7,13-14H2,1H3,(H,27,28)
InChIKeyVNSHTGZEQZXNCZ-UHFFFAOYSA-N
XLogP4.20
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid with MolForge

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Related Compounds

(3R)-3-cyclopropyl-3-[2-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid
CID 134465907
(3S)-3-cyclopropyl-3-[2-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid;(3R)-3-cyclopropyl-3-[2-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid
CID 158870116
(3S)-3-cyclopropyl-3-[2-[[4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methoxy]-4-pyridinyl]propanoic acid
CID 134465744
3-cyclopropyl-3-[2-[[1-[2-(2,2-dimethylpropoxymethyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 146337292
3-cyclopropyl-3-[2-[[1-[2-(2,2-dimethylpropoxycarbonyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 176905054
3-cyclopropyl-3-[2-[[1-[2-[(4-cyclopropylpyrimidin-2-yl)-(2,2-dimethylpropyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294518
methyl 3-cyclopropyl-3-[2-[[4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methoxy]-4-pyridinyl]propanoate
CID 146316697
3-cyclopropyl-3-[2-[[1-[2-(2-fluoro-2-methylpropoxy)-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 146337248
(3S)-3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294265
3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(4,6-dimethylpyrimidin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294417
3-cyclopropyl-3-[2-[[1-[5-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-2-methoxy-4-pyridinyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294791
(3S)-3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 90479828

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid (CID 146316732) is 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid is COc1ccnc(C2CCC(COc3cc(C(CC(=O)O)C4CC4)ccn3)CC2)n1.
What is the InChIKey of 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid?
The InChIKey is VNSHTGZEQZXNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-20-9-11-25-23(26-20)17-4-2-15(3-5-17)14-30-21-12-18(8-10-24-21)19(13-22(27)28)16-6-7-16/h8-12,15-17,19H,2-7,13-14H2,1H3,(H,27,28).
What are the key properties of 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid?
3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid has a molecular weight of 411.50 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-[[4-(4-methoxypyrimidin-2-yl)cyclohexyl]methoxy]-4-pyridinyl]propanoic acid is sourced from PubChem (CID 146316732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).