1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

C22H24N6O2 — CID 166612764

IUPAC1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCc3c(C(=O)N4Cc5ccccc5C4)n[nH]c3C2)n1
InChIInChI=1S/C22H24N6O2/c1-15-6-10-28(25-15)11-8-20(29)26-9-7-18-19(14-26)23-24-21(18)22(30)27-12-16-4-2-3-5-17(16)13-27/h2-6,10H,7-9,11-14H2,1H3,(H,23,24)
InChIKeyFPNCRAOPFSEMIW-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.05
Rot. Bonds4

About 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 166612764) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID166612764
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCc3c(C(=O)N4Cc5ccccc5C4)n[nH]c3C2)n1
InChIInChI=1S/C22H24N6O2/c1-15-6-10-28(25-15)11-8-20(29)26-9-7-18-19(14-26)23-24-21(18)22(30)27-12-16-4-2-3-5-17(16)13-27/h2-6,10H,7-9,11-14H2,1H3,(H,23,24)
InChIKeyFPNCRAOPFSEMIW-UHFFFAOYSA-N
XLogP2.05
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one with MolForge

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Related Compounds

1-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 31193814
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
1-[3-(4-methyl-1,4-diazepane-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-pyridin-3-ylpropan-1-one
CID 166623256
[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
CID 166623277
N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618712
1,3-dihydroisoindol-2-yl-(6-piperidin-1-ylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone;formic acid
CID 171325819
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
methyl 6-(2-methoxybenzoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84580825
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2H-triazol-4-yl)methanone
CID 110691665
N-[[3-methyl-7-[3-(3-methylpyrazol-1-yl)propanoyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 42407925
1-[3-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 46075201
(4-methylpiperazin-1-yl)-[6-(pyridin-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389003

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 166612764) is 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1ccn(CCC(=O)N2CCc3c(C(=O)N4Cc5ccccc5C4)n[nH]c3C2)n1.
What is the InChIKey of 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is FPNCRAOPFSEMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15-6-10-28(25-15)11-8-20(29)26-9-7-18-19(14-26)23-24-21(18)22(30)27-12-16-4-2-3-5-17(16)13-27/h2-6,10H,7-9,11-14H2,1H3,(H,23,24).
What are the key properties of 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 404.47 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 166612764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).