(1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol

C20H20N6O — CID 44583664

IUPAC(1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3cncn3)cn2c1C
InChIInChI=1S/C20H20N6O/c1-12-13(2)25-9-15(26-11-21-10-22-26)8-17(20(25)23-12)24-19-16-6-4-3-5-14(16)7-18(19)27/h3-6,8-11,18-19,24,27H,7H2,1-2H3/t18-,19-/m0/s1
InChIKeyFTQWKXRWLDQPEE-OALUTQOASA-N
MW360.42 g/mol
LogP2.60
Rot. Bonds3

About (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol

(1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 44583664) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID44583664
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3cncn3)cn2c1C
InChIInChI=1S/C20H20N6O/c1-12-13(2)25-9-15(26-11-21-10-22-26)8-17(20(25)23-12)24-19-16-6-4-3-5-14(16)7-18(19)27/h3-6,8-11,18-19,24,27H,7H2,1-2H3/t18-,19-/m0/s1
InChIKeyFTQWKXRWLDQPEE-OALUTQOASA-N
XLogP2.60
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 44583664) is (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol is Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3cncn3)cn2c1C.
What is the InChIKey of (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is FTQWKXRWLDQPEE-OALUTQOASA-N. The full InChI is InChI=1S/C20H20N6O/c1-12-13(2)25-9-15(26-11-21-10-22-26)8-17(20(25)23-12)24-19-16-6-4-3-5-14(16)7-18(19)27/h3-6,8-11,18-19,24,27H,7H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 360.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[[2,3-dimethyl-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 44583664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).