[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone

C27H27N5OS — CID 138560594

IUPAC[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3ccccc3n2Cc2ccsc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C27H27N5OS/c1-18-26(24-13-20-5-2-3-7-23(20)32(24)15-19-9-12-34-17-19)29-25-14-21(8-11-31(18)25)27(33)30-10-4-6-22(28)16-30/h2-3,5,7-9,11-14,17,22H,4,6,10,15-16,28H2,1H3/t22-/m1/s1
InChIKeyZCYTUUDCLCIFFU-JOCHJYFZSA-N
MW469.61 g/mol
LogP4.94
Rot. Bonds4

About [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138560594) has the molecular formula C27H27N5OS and a molecular weight of 469.61 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138560594
Molecular FormulaC27H27N5OS
Molecular Weight469.61 g/mol
Exact Mass469.19
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1c(-c2cc3ccccc3n2Cc2ccsc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12
InChIInChI=1S/C27H27N5OS/c1-18-26(24-13-20-5-2-3-7-23(20)32(24)15-19-9-12-34-17-19)29-25-14-21(8-11-31(18)25)27(33)30-10-4-6-22(28)16-30/h2-3,5,7-9,11-14,17,22H,4,6,10,15-16,28H2,1H3/t22-/m1/s1
InChIKeyZCYTUUDCLCIFFU-JOCHJYFZSA-N
XLogP4.94
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.94
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]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone (CID 138560594) is [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2cc3ccccc3n2Cc2ccsc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is ZCYTUUDCLCIFFU-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H27N5OS/c1-18-26(24-13-20-5-2-3-7-23(20)32(24)15-19-9-12-34-17-19)29-25-14-21(8-11-31(18)25)27(33)30-10-4-6-22(28)16-30/h2-3,5,7-9,11-14,17,22H,4,6,10,15-16,28H2,1H3/t22-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 469.61 g/mol, XLogP of 4.94, 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]-[3-methyl-2-[1-(thiophen-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138560594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).