[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone

C25H24F3N5O2 — CID 146480867

IUPAC[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCCC1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CC(C)N1C(=O)c1cnn2cc(OC)ccc12
InChIInChI=1S/C25H24F3N5O2/c1-5-20-23-16(24(31(3)30-23)14-9-18(26)22(28)19(27)10-14)8-13(2)33(20)25(34)17-11-29-32-12-15(35-4)6-7-21(17)32/h6-7,9-13,20H,5,8H2,1-4H3
InChIKeyIINVWJQMYMJRND-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.70
Rot. Bonds4

About [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone

[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 146480867) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID146480867
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCCC1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CC(C)N1C(=O)c1cnn2cc(OC)ccc12
InChIInChI=1S/C25H24F3N5O2/c1-5-20-23-16(24(31(3)30-23)14-9-18(26)22(28)19(27)10-14)8-13(2)33(20)25(34)17-11-29-32-12-15(35-4)6-7-21(17)32/h6-7,9-13,20H,5,8H2,1-4H3
InChIKeyIINVWJQMYMJRND-UHFFFAOYSA-N
XLogP4.70
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
2-(4-(2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-1H-pyrazol-1-yl)acetonitrile
CID 53327269
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25072941
3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681904
N-[(7S)-4-(5,6-dimethoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide
CID 134278122
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57402366
5-[4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]triazol-1-yl]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 122189391
6-(1-methylpyrazol-4-yl)-3-[(3R)-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 145965985
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-methoxy-1-methyl-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 507794
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799

Frequently Asked Questions

What is the IUPAC name of [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone (CID 146480867) is [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone is CCC1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CC(C)N1C(=O)c1cnn2cc(OC)ccc12.
What is the InChIKey of [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is IINVWJQMYMJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c1-5-20-23-16(24(31(3)30-23)14-9-18(26)22(28)19(27)10-14)8-13(2)33(20)25(34)17-11-29-32-12-15(35-4)6-7-21(17)32/h6-7,9-13,20H,5,8H2,1-4H3.
What are the key properties of [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone?
[7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 483.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-ethyl-2,5-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 146480867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).