1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane

C35H38F6N8O2Si — CID 159427907

IUPAC1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane
SMILESC[Si](C)(C)C(F)(F)F.O=Cc1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.OC(c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1)C(F)(F)F
InChIInChI=1S/C16H15F3N4O.C15H14N4O.C4H9F3Si/c17-16(18,19)15(24)12-5-20-23(7-12)9-13-8-22-6-11(10-1-2-10)3-4-14(22)21-13;20-10-11-5-16-19(6-11)9-14-8-18-7-13(12-1-2-12)3-4-15(18)17-14;1-8(2,3)4(5,6)7/h3-8,10,15,24H,1-2,9H2;3-8,10,12H,1-2,9H2;1-3H3
InChIKeyLQPJVNAKWJLCKG-UHFFFAOYSA-N
MW744.82 g/mol
LogP7.75
Rot. Bonds8

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane (PubChem CID 159427907) has the molecular formula C35H38F6N8O2Si and a molecular weight of 744.82 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane.

Molecular Properties

Compound Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane
PubChem CID159427907
Molecular FormulaC35H38F6N8O2Si
Molecular Weight744.82 g/mol
Exact Mass744.28
IUPAC Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane
SMILESC[Si](C)(C)C(F)(F)F.O=Cc1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.OC(c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1)C(F)(F)F
InChIInChI=1S/C16H15F3N4O.C15H14N4O.C4H9F3Si/c17-16(18,19)15(24)12-5-20-23(7-12)9-13-8-22-6-11(10-1-2-10)3-4-14(22)21-13;20-10-11-5-16-19(6-11)9-14-8-18-7-13(12-1-2-12)3-4-15(18)17-14;1-8(2,3)4(5,6)7/h3-8,10,15,24H,1-2,9H2;3-8,10,12H,1-2,9H2;1-3H3
InChIKeyLQPJVNAKWJLCKG-UHFFFAOYSA-N
XLogP7.75
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.82
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane?
The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane (CID 159427907) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane.
What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane?
The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane is C[Si](C)(C)C(F)(F)F.O=Cc1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.OC(c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1)C(F)(F)F.
What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane?
The InChIKey is LQPJVNAKWJLCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O.C15H14N4O.C4H9F3Si/c17-16(18,19)15(24)12-5-20-23(7-12)9-13-8-22-6-11(10-1-2-10)3-4-14(22)21-13;20-10-11-5-16-19(6-11)9-14-8-18-7-13(12-1-2-12)3-4-15(18)17-14;1-8(2,3)4(5,6)7/h3-8,10,15,24H,1-2,9H2;3-8,10,12H,1-2,9H2;1-3H3.
What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane?
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane has a molecular weight of 744.82 g/mol, XLogP of 7.75, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]-2,2,2-trifluoroethanol;trimethyl(trifluoromethyl)silane is sourced from PubChem (CID 159427907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).