formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C11H13N5O3 — CID 171711631

IUPACformic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCn1ccnc1C1CC(=O)Nc2[nH]ncc21.O=CO
InChIInChI=1S/C10H11N5O.CH2O2/c1-15-3-2-11-10(15)6-4-8(16)13-9-7(6)5-12-14-9;2-1-3/h2-3,5-6H,4H2,1H3,(H2,12,13,14,16);1H,(H,2,3)
InChIKeyXDGROVMBEJDHQM-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.32
Rot. Bonds1

About formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 171711631) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Nameformic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID171711631
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Nameformic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCn1ccnc1C1CC(=O)Nc2[nH]ncc21.O=CO
InChIInChI=1S/C10H11N5O.CH2O2/c1-15-3-2-11-10(15)6-4-8(16)13-9-7(6)5-12-14-9;2-1-3/h2-3,5-6H,4H2,1H3,(H2,12,13,14,16);1H,(H,2,3)
InChIKeyXDGROVMBEJDHQM-UHFFFAOYSA-N
XLogP0.32
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

(4S)-4-(2-chlorophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902621
4-(2-bromophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637582
(4S)-4-(1-methylbenzotriazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 136737688
4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 169415091
(4R)-2-benzyl-3-methyl-4-(1-methylimidazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 136907611
(4S)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 136821248
(4R)-4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 136693377
4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135636067
(4R)-4-[3-(2-methylpropoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902215
4-(3-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135633978
2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135637602
4-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216555

Frequently Asked Questions

What is the IUPAC name of formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 171711631) is formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is Cn1ccnc1C1CC(=O)Nc2[nH]ncc21.O=CO.
What is the InChIKey of formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is XDGROVMBEJDHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O.CH2O2/c1-15-3-2-11-10(15)6-4-8(16)13-9-7(6)5-12-14-9;2-1-3/h2-3,5-6H,4H2,1H3,(H2,12,13,14,16);1H,(H,2,3).
What are the key properties of formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 263.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-(1-methylimidazol-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 171711631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).