(1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid

C27H24F2N4O3 — CID 118235468

IUPAC(1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCc1nc2ccc(-c3cnc(C4C[C@@H]5C(C(=O)O)[C@@H]5C4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C27H24F2N4O3/c1-14-21(10-15-4-2-3-5-22(15)36-27(28)29)33-13-16(6-7-23(33)32-14)18-11-30-25(31-12-18)17-8-19-20(9-17)24(19)26(34)35/h2-7,11-13,17,19-20,24,27H,8-10H2,1H3,(H,34,35)/t17?,19-,20+,24?
InChIKeyADOODKLNFUPKGT-UHIRNXAASA-N
MW490.51 g/mol
LogP5.12
Rot. Bonds7

About (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid

(1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 118235468) has the molecular formula C27H24F2N4O3 and a molecular weight of 490.51 g/mol. Its IUPAC name is (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID118235468
Molecular FormulaC27H24F2N4O3
Molecular Weight490.51 g/mol
Exact Mass490.18
IUPAC Name(1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCc1nc2ccc(-c3cnc(C4C[C@@H]5C(C(=O)O)[C@@H]5C4)nc3)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C27H24F2N4O3/c1-14-21(10-15-4-2-3-5-22(15)36-27(28)29)33-13-16(6-7-23(33)32-14)18-11-30-25(31-12-18)17-8-19-20(9-17)24(19)26(34)35/h2-7,11-13,17,19-20,24,27H,8-10H2,1H3,(H,34,35)/t17?,19-,20+,24?
InChIKeyADOODKLNFUPKGT-UHIRNXAASA-N
XLogP5.12
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid (CID 118235468) is (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid is Cc1nc2ccc(-c3cnc(C4C[C@@H]5C(C(=O)O)[C@@H]5C4)nc3)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is ADOODKLNFUPKGT-UHIRNXAASA-N. The full InChI is InChI=1S/C27H24F2N4O3/c1-14-21(10-15-4-2-3-5-22(15)36-27(28)29)33-13-16(6-7-23(33)32-14)18-11-30-25(31-12-18)17-8-19-20(9-17)24(19)26(34)35/h2-7,11-13,17,19-20,24,27H,8-10H2,1H3,(H,34,35)/t17?,19-,20+,24?.
What are the key properties of (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid?
(1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 490.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]bicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 118235468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).