1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol

C32H38N6O2 — CID 178168322

IUPAC1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
SMILESCc1c(CCOc2c(-c3ccc4ncc(CNC5CC5)n4c3)ccc3cccnc23)c(C(O)C(C)(C)C)nn1C
InChIInChI=1S/C32H38N6O2/c1-20-25(29(36-37(20)5)31(39)32(2,3)4)14-16-40-30-26(12-8-21-7-6-15-33-28(21)30)22-9-13-27-35-18-24(38(27)19-22)17-34-23-10-11-23/h6-9,12-13,15,18-19,23,31,34,39H,10-11,14,16-17H2,1-5H3
InChIKeyKVIAIYLXQKRREM-UHFFFAOYSA-N
MW538.70 g/mol
LogP5.54
Rot. Bonds9

About 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol

1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (PubChem CID 178168322) has the molecular formula C32H38N6O2 and a molecular weight of 538.70 g/mol. Its IUPAC name is 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
PubChem CID178168322
Molecular FormulaC32H38N6O2
Molecular Weight538.70 g/mol
Exact Mass538.31
IUPAC Name1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol
SMILESCc1c(CCOc2c(-c3ccc4ncc(CNC5CC5)n4c3)ccc3cccnc23)c(C(O)C(C)(C)C)nn1C
InChIInChI=1S/C32H38N6O2/c1-20-25(29(36-37(20)5)31(39)32(2,3)4)14-16-40-30-26(12-8-21-7-6-15-33-28(21)30)22-9-13-27-35-18-24(38(27)19-22)17-34-23-10-11-23/h6-9,12-13,15,18-19,23,31,34,39H,10-11,14,16-17H2,1-5H3
InChIKeyKVIAIYLXQKRREM-UHFFFAOYSA-N
XLogP5.54
TPSA89.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.70
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol (CID 178168322) is 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol is Cc1c(CCOc2c(-c3ccc4ncc(CNC5CC5)n4c3)ccc3cccnc23)c(C(O)C(C)(C)C)nn1C.
What is the InChIKey of 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is KVIAIYLXQKRREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O2/c1-20-25(29(36-37(20)5)31(39)32(2,3)4)14-16-40-30-26(12-8-21-7-6-15-33-28(21)30)22-9-13-27-35-18-24(38(27)19-22)17-34-23-10-11-23/h6-9,12-13,15,18-19,23,31,34,39H,10-11,14,16-17H2,1-5H3.
What are the key properties of 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol?
1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 538.70 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[7-[3-[(cyclopropylamino)methyl]imidazo[1,2-a]pyridin-6-yl]quinolin-8-yl]oxyethyl]-1,5-dimethylpyrazol-3-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 178168322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).