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

C28H27FN6O — CID 138560609

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3cc(F)ccc3n2Cc2ccncc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C28H27FN6O/c1-18-27(32-26-15-20(8-12-34(18)26)28(36)33-11-2-3-23(30)17-33)25-14-21-13-22(29)4-5-24(21)35(25)16-19-6-9-31-10-7-19/h4-10,12-15,23H,2-3,11,16-17,30H2,1H3/t23-/m1/s1
InChIKeyGMSNVBJAWDKTDI-HSZRJFAPSA-N
MW482.56 g/mol
LogP4.41
Rot. Bonds4

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

[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138560609) has the molecular formula C28H27FN6O and a molecular weight of 482.56 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138560609
Molecular FormulaC28H27FN6O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3cc(F)ccc3n2Cc2ccncc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C28H27FN6O/c1-18-27(32-26-15-20(8-12-34(18)26)28(36)33-11-2-3-23(30)17-33)25-14-21-13-22(29)4-5-24(21)35(25)16-19-6-9-31-10-7-19/h4-10,12-15,23H,2-3,11,16-17,30H2,1H3/t23-/m1/s1
InChIKeyGMSNVBJAWDKTDI-HSZRJFAPSA-N
XLogP4.41
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138560609) is [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2cc3cc(F)ccc3n2Cc2ccncc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is GMSNVBJAWDKTDI-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H27FN6O/c1-18-27(32-26-15-20(8-12-34(18)26)28(36)33-11-2-3-23(30)17-33)25-14-21-13-22(29)4-5-24(21)35(25)16-19-6-9-31-10-7-19/h4-10,12-15,23H,2-3,11,16-17,30H2,1H3/t23-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[5-fluoro-1-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 482.56 g/mol, XLogP of 4.41, 4 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-(pyridin-4-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138560609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).