[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C30H30FN5O2 — CID 138578933

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCOc1cccc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3ccc(F)cc32)c1
InChIInChI=1S/C30H30FN5O2/c1-19-29(33-28-15-22(10-12-35(19)28)30(37)34-11-4-6-24(32)18-34)27-14-21-8-9-23(31)16-26(21)36(27)17-20-5-3-7-25(13-20)38-2/h3,5,7-10,12-16,24H,4,6,11,17-18,32H2,1-2H3/t24-/m1/s1
InChIKeyQKXPGIJKSMNGCW-XMMPIXPASA-N
MW511.60 g/mol
LogP5.02
Rot. Bonds5

About [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138578933) has the molecular formula C30H30FN5O2 and a molecular weight of 511.60 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138578933
Molecular FormulaC30H30FN5O2
Molecular Weight511.60 g/mol
Exact Mass511.24
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCOc1cccc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3ccc(F)cc32)c1
InChIInChI=1S/C30H30FN5O2/c1-19-29(33-28-15-22(10-12-35(19)28)30(37)34-11-4-6-24(32)18-34)27-14-21-8-9-23(31)16-26(21)36(27)17-20-5-3-7-25(13-20)38-2/h3,5,7-10,12-16,24H,4,6,11,17-18,32H2,1-2H3/t24-/m1/s1
InChIKeyQKXPGIJKSMNGCW-XMMPIXPASA-N
XLogP5.02
TPSA77.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.60
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)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-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138578933) is [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)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-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is COc1cccc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3ccc(F)cc32)c1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is QKXPGIJKSMNGCW-XMMPIXPASA-N. The full InChI is InChI=1S/C30H30FN5O2/c1-19-29(33-28-15-22(10-12-35(19)28)30(37)34-11-4-6-24(32)18-34)27-14-21-8-9-23(31)16-26(21)36(27)17-20-5-3-7-25(13-20)38-2/h3,5,7-10,12-16,24H,4,6,11,17-18,32H2,1-2H3/t24-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 511.60 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-[(3-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138578933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).