1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese

C30H28MnN8O5 — CID 158143810

IUPAC1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese
SMILESO=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=Cc1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=[Mn]=O
InChIInChI=1S/C15H14N4O2.C15H14N4O.Mn.2O/c20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;20-10-11-5-16-19(6-11)9-14-8-18-7-13(12-1-2-12)3-4-15(18)17-14;;;/h3-8,10H,1-2,9H2,(H,20,21);3-8,10,12H,1-2,9H2;;;
InChIKeyDPPGQOVDFSIUHN-UHFFFAOYSA-N
MW635.54 g/mol
LogP4.18
Rot. Bonds8

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese (PubChem CID 158143810) has the molecular formula C30H28MnN8O5 and a molecular weight of 635.54 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese.

Molecular Properties

Compound Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese
PubChem CID158143810
Molecular FormulaC30H28MnN8O5
Molecular Weight635.54 g/mol
Exact Mass635.16
IUPAC Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese
SMILESO=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=Cc1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=[Mn]=O
InChIInChI=1S/C15H14N4O2.C15H14N4O.Mn.2O/c20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;20-10-11-5-16-19(6-11)9-14-8-18-7-13(12-1-2-12)3-4-15(18)17-14;;;/h3-8,10H,1-2,9H2,(H,20,21);3-8,10,12H,1-2,9H2;;;
InChIKeyDPPGQOVDFSIUHN-UHFFFAOYSA-N
XLogP4.18
TPSA158.75 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]pyrazole-4-carboxylic acid
CID 139487654
N-[(6-aminoimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 139487384
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-cyclopropylimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide
CID 139487423
2-[2-[4-(2-Methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]imidazo[1,2-a]pyridine;2,2,2-trifluoroacetic acid
CID 71149935
7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137457646
7-[Benzyl(methyl)amino]-5-[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 139373624
1-[(6-Cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 139487365
1-[(6-Cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid
CID 139487398
Ethyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487573
1-[[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]pyrazole-4-carboxylic acid
CID 139487817
1-[(6-Cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 139487903
Ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139488029

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese?
The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese (CID 158143810) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese.
What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese?
The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese is O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=Cc1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=[Mn]=O.
What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese?
The InChIKey is DPPGQOVDFSIUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2.C15H14N4O.Mn.2O/c20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;20-10-11-5-16-19(6-11)9-14-8-18-7-13(12-1-2-12)3-4-15(18)17-14;;;/h3-8,10H,1-2,9H2,(H,20,21);3-8,10,12H,1-2,9H2;;;.
What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese?
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carbaldehyde;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese has a molecular weight of 635.54 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 12 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-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;dioxomanganese is sourced from PubChem (CID 158143810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).