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

C28H27FN6O — CID 138579376

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3ccc(F)cc3n2Cc2cccnc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C28H27FN6O/c1-18-27(32-26-13-21(8-11-34(18)26)28(36)33-10-3-5-23(30)17-33)25-12-20-6-7-22(29)14-24(20)35(25)16-19-4-2-9-31-15-19/h2,4,6-9,11-15,23H,3,5,10,16-17,30H2,1H3/t23-/m1/s1
InChIKeyXMALKZFIQGDQQZ-HSZRJFAPSA-N
MW482.56 g/mol
LogP4.41
Rot. Bonds4

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

[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138579376) has the molecular formula C28H27FN6O and a molecular weight of 482.56 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138579376
Molecular FormulaC28H27FN6O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3ccc(F)cc3n2Cc2cccnc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C28H27FN6O/c1-18-27(32-26-13-21(8-11-34(18)26)28(36)33-10-3-5-23(30)17-33)25-12-20-6-7-22(29)14-24(20)35(25)16-19-4-2-9-31-15-19/h2,4,6-9,11-15,23H,3,5,10,16-17,30H2,1H3/t23-/m1/s1
InChIKeyXMALKZFIQGDQQZ-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-[6-fluoro-1-(pyridin-3-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-[6-fluoro-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138579376) is [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-(pyridin-3-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-[6-fluoro-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2cc3ccc(F)cc3n2Cc2cccnc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is XMALKZFIQGDQQZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H27FN6O/c1-18-27(32-26-13-21(8-11-34(18)26)28(36)33-10-3-5-23(30)17-33)25-12-20-6-7-22(29)14-24(20)35(25)16-19-4-2-9-31-15-19/h2,4,6-9,11-15,23H,3,5,10,16-17,30H2,1H3/t23-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[6-fluoro-1-(pyridin-3-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-[6-fluoro-1-(pyridin-3-ylmethyl)indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138579376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).