1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C19H25N5O — CID 176982537

IUPAC1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3CCCc4ccncc43)nn2C(C)C)C1
InChIInChI=1S/C19H25N5O/c1-13(2)24-17-7-10-22(14(3)25)12-16(17)19(21-24)23-9-4-5-15-6-8-20-11-18(15)23/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3
InChIKeyTZERPCSLVGBYRP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.85
Rot. Bonds2

About 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 176982537) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID176982537
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3CCCc4ccncc43)nn2C(C)C)C1
InChIInChI=1S/C19H25N5O/c1-13(2)24-17-7-10-22(14(3)25)12-16(17)19(21-24)23-9-4-5-15-6-8-20-11-18(15)23/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3
InChIKeyTZERPCSLVGBYRP-UHFFFAOYSA-N
XLogP2.85
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177122844
1-[3-(6-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177122933
1-[1-butan-2-yl-3-(7-methyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176983856
1-[3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176983459
1-[3-(3,4-dihydro-2H-1,6-naphthyridin-1-yl)-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177123500
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376993
1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid
CID 121365473
1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-3,4-dihydro-2H-quinoline-6-carbonitrile;ethane
CID 176983943
ethane;1-[3-[6-(4-methylphenyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176985988
1-[3-[6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372772
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373054
3-[7-(difluoromethyl)-6-(2-methyl-1,5-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 176984520

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 176982537) is 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4ccncc43)nn2C(C)C)C1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is TZERPCSLVGBYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(2)24-17-7-10-22(14(3)25)12-16(17)19(21-24)23-9-4-5-15-6-8-20-11-18(15)23/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3.
What are the key properties of 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-1,7-naphthyridin-1-yl)-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 176982537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).