[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone

C27H28N6OS — CID 138565734

IUPAC[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1csc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3ccccc32)n1
InChIInChI=1S/C27H28N6OS/c1-17-16-35-25(29-17)15-33-22-8-4-3-6-19(22)12-23(33)26-18(2)32-11-9-20(13-24(32)30-26)27(34)31-10-5-7-21(28)14-31/h3-4,6,8-9,11-13,16,21H,5,7,10,14-15,28H2,1-2H3/t21-/m1/s1
InChIKeyZNASJHDIQMNFLX-OAQYLSRUSA-N
MW484.63 g/mol
LogP4.64
Rot. Bonds4

About [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138565734) has the molecular formula C27H28N6OS and a molecular weight of 484.63 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone
PubChem CID138565734
Molecular FormulaC27H28N6OS
Molecular Weight484.63 g/mol
Exact Mass484.20
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone
SMILESCc1csc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3ccccc32)n1
InChIInChI=1S/C27H28N6OS/c1-17-16-35-25(29-17)15-33-22-8-4-3-6-19(22)12-23(33)26-18(2)32-11-9-20(13-24(32)30-26)27(34)31-10-5-7-21(28)14-31/h3-4,6,8-9,11-13,16,21H,5,7,10,14-15,28H2,1-2H3/t21-/m1/s1
InChIKeyZNASJHDIQMNFLX-OAQYLSRUSA-N
XLogP4.64
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone (CID 138565734) is [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]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-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone is Cc1csc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccn4c3C)cc3ccccc32)n1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is ZNASJHDIQMNFLX-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H28N6OS/c1-17-16-35-25(29-17)15-33-22-8-4-3-6-19(22)12-23(33)26-18(2)32-11-9-20(13-24(32)30-26)27(34)31-10-5-7-21(28)14-31/h3-4,6,8-9,11-13,16,21H,5,7,10,14-15,28H2,1-2H3/t21-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 484.63 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-2-yl]imidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138565734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).