[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C29H27F2N5O — CID 138560618

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3cc(F)ccc3n2Cc2ccc(F)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C29H27F2N5O/c1-18-28(33-27-15-20(10-12-35(18)27)29(37)34-11-2-3-24(32)17-34)26-14-21-13-23(31)8-9-25(21)36(26)16-19-4-6-22(30)7-5-19/h4-10,12-15,24H,2-3,11,16-17,32H2,1H3/t24-/m1/s1
InChIKeyABCSRFKIUISAFM-XMMPIXPASA-N
MW499.57 g/mol
LogP5.15
Rot. Bonds4

About [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138560618) has the molecular formula C29H27F2N5O and a molecular weight of 499.57 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138560618
Molecular FormulaC29H27F2N5O
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3cc(F)ccc3n2Cc2ccc(F)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C29H27F2N5O/c1-18-28(33-27-15-20(10-12-35(18)27)29(37)34-11-2-3-24(32)17-34)26-14-21-13-23(31)8-9-25(21)36(26)16-19-4-6-22(30)7-5-19/h4-10,12-15,24H,2-3,11,16-17,32H2,1H3/t24-/m1/s1
InChIKeyABCSRFKIUISAFM-XMMPIXPASA-N
XLogP5.15
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone 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 [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138560618) is [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2cc3cc(F)ccc3n2Cc2ccc(F)cc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is ABCSRFKIUISAFM-XMMPIXPASA-N. The full InChI is InChI=1S/C29H27F2N5O/c1-18-28(33-27-15-20(10-12-35(18)27)29(37)34-11-2-3-24(32)17-34)26-14-21-13-23(31)8-9-25(21)36(26)16-19-4-6-22(30)7-5-19/h4-10,12-15,24H,2-3,11,16-17,32H2,1H3/t24-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 499.57 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138560618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).