2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid

C29H30F3N5O5 — CID 171924121

IUPAC2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)C(NCCO)c2ccccc2)CC4)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H29N5O3.C2HF3O2/c1-35-22-9-7-19(8-10-22)17-32-26-24(16-30-32)23-11-13-31(18-21(23)15-29-26)27(34)25(28-12-14-33)20-5-3-2-4-6-20;3-2(4,5)1(6)7/h2-10,15-16,25,28,33H,11-14,17-18H2,1H3;(H,6,7)
InChIKeyAXQRIFKRKUYFHY-UHFFFAOYSA-N
MW585.58 g/mol
LogP3.33
Rot. Bonds8

About 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid

2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid (PubChem CID 171924121) has the molecular formula C29H30F3N5O5 and a molecular weight of 585.58 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid
PubChem CID171924121
Molecular FormulaC29H30F3N5O5
Molecular Weight585.58 g/mol
Exact Mass585.22
IUPAC Name2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)C(NCCO)c2ccccc2)CC4)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C27H29N5O3.C2HF3O2/c1-35-22-9-7-19(8-10-22)17-32-26-24(16-30-32)23-11-13-31(18-21(23)15-29-26)27(34)25(28-12-14-33)20-5-3-2-4-6-20;3-2(4,5)1(6)7/h2-10,15-16,25,28,33H,11-14,17-18H2,1H3;(H,6,7)
InChIKeyAXQRIFKRKUYFHY-UHFFFAOYSA-N
XLogP3.33
TPSA129.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.58
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid (CID 171924121) is 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid is COc1ccc(Cn2ncc3c4c(cnc32)CN(C(=O)C(NCCO)c2ccccc2)CC4)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is AXQRIFKRKUYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C2HF3O2/c1-35-22-9-7-19(8-10-22)17-32-26-24(16-30-32)23-11-13-31(18-21(23)15-29-26)27(34)25(28-12-14-33)20-5-3-2-4-6-20;3-2(4,5)1(6)7/h2-10,15-16,25,28,33H,11-14,17-18H2,1H3;(H,6,7).
What are the key properties of 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid?
2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 585.58 g/mol, XLogP of 3.33, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-1-[3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[4,3-f][2,7]naphthyridin-7-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171924121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).