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

C30H30FN5O2 — CID 138561053

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCOc1ccc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3cc(F)ccc32)cc1
InChIInChI=1S/C30H30FN5O2/c1-19-29(33-28-16-21(11-13-35(19)28)30(37)34-12-3-4-24(32)18-34)27-15-22-14-23(31)7-10-26(22)36(27)17-20-5-8-25(38-2)9-6-20/h5-11,13-16,24H,3-4,12,17-18,32H2,1-2H3/t24-/m1/s1
InChIKeyRMRVQSUOJZQBLU-XMMPIXPASA-N
MW511.60 g/mol
LogP5.02
Rot. Bonds5

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

[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138561053) has the molecular formula C30H30FN5O2 and a molecular weight of 511.60 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-methoxyphenyl)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-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138561053
Molecular FormulaC30H30FN5O2
Molecular Weight511.60 g/mol
Exact Mass511.24
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCOc1ccc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3cc(F)ccc32)cc1
InChIInChI=1S/C30H30FN5O2/c1-19-29(33-28-16-21(11-13-35(19)28)30(37)34-12-3-4-24(32)18-34)27-15-22-14-23(31)7-10-26(22)36(27)17-20-5-8-25(38-2)9-6-20/h5-11,13-16,24H,3-4,12,17-18,32H2,1-2H3/t24-/m1/s1
InChIKeyRMRVQSUOJZQBLU-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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-methoxyphenyl)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-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138561053) is [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-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-[5-fluoro-1-[(4-methoxyphenyl)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-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is COc1ccc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3cc(F)ccc32)cc1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is RMRVQSUOJZQBLU-XMMPIXPASA-N. The full InChI is InChI=1S/C30H30FN5O2/c1-19-29(33-28-16-21(11-13-35(19)28)30(37)34-12-3-4-24(32)18-34)27-15-22-14-23(31)7-10-26(22)36(27)17-20-5-8-25(38-2)9-6-20/h5-11,13-16,24H,3-4,12,17-18,32H2,1-2H3/t24-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-[(4-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-[5-fluoro-1-[(4-methoxyphenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138561053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).