formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine

C21H23N7O4 — CID 171322790

IUPACformic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine
SMILESCc1nnc(N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)c2ccccc12.O=CO.O=CO
InChIInChI=1S/C19H19N7.2CH2O2/c1-12-14-5-3-4-6-15(14)19(24-23-12)26-9-16(13-7-22-25(2)8-13)18-17(10-26)20-11-21-18;2*2-1-3/h3-8,11,16H,9-10H2,1-2H3,(H,20,21);2*1H,(H,2,3)
InChIKeyZFGCKZZBHWUYJM-UHFFFAOYSA-N
MW437.46 g/mol
LogP1.95
Rot. Bonds2

About formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine

formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine (PubChem CID 171322790) has the molecular formula C21H23N7O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine.

Molecular Properties

Compound Nameformic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine
PubChem CID171322790
Molecular FormulaC21H23N7O4
Molecular Weight437.46 g/mol
Exact Mass437.18
IUPAC Nameformic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine
SMILESCc1nnc(N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)c2ccccc12.O=CO.O=CO
InChIInChI=1S/C19H19N7.2CH2O2/c1-12-14-5-3-4-6-15(14)19(24-23-12)26-9-16(13-7-22-25(2)8-13)18-17(10-26)20-11-21-18;2*2-1-3/h3-8,11,16H,9-10H2,1-2H3,(H,20,21);2*1H,(H,2,3)
InChIKeyZFGCKZZBHWUYJM-UHFFFAOYSA-N
XLogP1.95
TPSA150.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598682
formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 166598509
(2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598402
[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 164696375
methyl 3-ethyl-2-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]imidazo[4,5-b]pyridine-6-carboxylate
CID 165417580
methyl 5-phenyl-3-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,2-oxazole-4-carboxylate
CID 165427466
[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903220
(2-amino-6-propan-2-ylpyrimidin-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165422967
5-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3,4-thiadiazol-2-amine
CID 165426721
2-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 165419732
(4R)-5-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95201436
2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 165428218

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine?
The IUPAC name of formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine (CID 171322790) is formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine.
What is the SMILES notation for formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine?
The canonical SMILES for formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine is Cc1nnc(N2Cc3[nH]cnc3C(c3cnn(C)c3)C2)c2ccccc12.O=CO.O=CO.
What is the InChIKey of formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine?
The InChIKey is ZFGCKZZBHWUYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7.2CH2O2/c1-12-14-5-3-4-6-15(14)19(24-23-12)26-9-16(13-7-22-25(2)8-13)18-17(10-26)20-11-21-18;2*2-1-3/h3-8,11,16H,9-10H2,1-2H3,(H,20,21);2*1H,(H,2,3).
What are the key properties of formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine?
formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine has a molecular weight of 437.46 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine is sourced from PubChem (CID 171322790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).