3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane

C27H30ClN3O4 — CID 142593690

IUPAC3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane
SMILESC1CC1.COc1cc(-c2ncc(C3CCc4ccc(CC(C)C(=O)O)cc4O3)nc2C)c(Cl)cn1
InChIInChI=1S/C24H24ClN3O4.C3H6/c1-13(24(29)30)8-15-4-5-16-6-7-20(32-21(16)9-15)19-12-27-23(14(2)28-19)17-10-22(31-3)26-11-18(17)25;1-2-3-1/h4-5,9-13,20H,6-8H2,1-3H3,(H,29,30);1-3H2
InChIKeyUZOLNQUVPKUROF-UHFFFAOYSA-N
MW496.01 g/mol
LogP6.01
Rot. Bonds6

About 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane

3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane (PubChem CID 142593690) has the molecular formula C27H30ClN3O4 and a molecular weight of 496.01 g/mol. Its IUPAC name is 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane.

Molecular Properties

Compound Name3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane
PubChem CID142593690
Molecular FormulaC27H30ClN3O4
Molecular Weight496.01 g/mol
Exact Mass495.19
IUPAC Name3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane
SMILESC1CC1.COc1cc(-c2ncc(C3CCc4ccc(CC(C)C(=O)O)cc4O3)nc2C)c(Cl)cn1
InChIInChI=1S/C24H24ClN3O4.C3H6/c1-13(24(29)30)8-15-4-5-16-6-7-20(32-21(16)9-15)19-12-27-23(14(2)28-19)17-10-22(31-3)26-11-18(17)25;1-2-3-1/h4-5,9-13,20H,6-8H2,1-3H3,(H,29,30);1-3H2
InChIKeyUZOLNQUVPKUROF-UHFFFAOYSA-N
XLogP6.01
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropane;3-[2-[5-(2-ethoxy-5-fluoro-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 142593605
cyclopropane;3-[2-[4-(diethylaminomethyl)-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 145016191
3-[2-[3-fluoro-5-(5-fluoro-2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 144688790
3-[2-[6-[[di(propan-2-yl)amino]methyl]-5-(2-methoxy-4-pyridinyl)-2-pyridinyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 166978216
cyclopropane;3-[2-[5-[2-(2,2-difluoroethoxy)-5-fluoro-4-pyridinyl]-3-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 142593693
(2S)-3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 166978285
3-[2-[4-(5-cyano-2-methoxy-4-pyridinyl)-3-[[ethyl(methyl)amino]methyl]phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane
CID 145015917
cyclopropane;ethane;3-[2-[4-(5-fluoro-2-methoxy-4-pyridinyl)-3-(1-pyrrolidin-1-ylethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 145015985
3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpyrazin-2-yl]-8-fluoro-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 142593642
3-[2-[3-[[tert-butyl(methyl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 145016100
3-[2-[4-(5-cyano-2-methoxy-4-pyridinyl)-3-(pyrrolidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane;ethane
CID 145016103
3-[(2S)-2-[3-[[ethyl(methyl)amino]methyl]-4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
CID 166978190

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane?
The IUPAC name of 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane (CID 142593690) is 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane.
What is the SMILES notation for 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane?
The canonical SMILES for 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane is C1CC1.COc1cc(-c2ncc(C3CCc4ccc(CC(C)C(=O)O)cc4O3)nc2C)c(Cl)cn1.
What is the InChIKey of 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane?
The InChIKey is UZOLNQUVPKUROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4.C3H6/c1-13(24(29)30)8-15-4-5-16-6-7-20(32-21(16)9-15)19-12-27-23(14(2)28-19)17-10-22(31-3)26-11-18(17)25;1-2-3-1/h4-5,9-13,20H,6-8H2,1-3H3,(H,29,30);1-3H2.
What are the key properties of 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane?
3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane has a molecular weight of 496.01 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(5-chloro-2-methoxy-4-pyridinyl)-6-methylpyrazin-2-yl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid;cyclopropane is sourced from PubChem (CID 142593690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).