3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine

C23H28N6O — CID 137167663

IUPAC3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILES[H]/N=C1C(=N\c2c(OCCCN(C)C)nn3ccccc23)\C=C(C)c2[nH]c(C)c(C)c2\1
InChIInChI=1S/C23H28N6O/c1-14-13-17(20(24)19-15(2)16(3)25-21(14)19)26-22-18-9-6-7-11-29(18)27-23(22)30-12-8-10-28(4)5/h6-7,9,11,13,24-25H,8,10,12H2,1-5H3/b24-20+,26-17+
InChIKeyQVPOVSPEHVGVMA-OREWWLCJSA-N
MW404.52 g/mol
LogP4.17
Rot. Bonds6

About 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine

3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 137167663) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID137167663
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine
SMILES[H]/N=C1C(=N\c2c(OCCCN(C)C)nn3ccccc23)\C=C(C)c2[nH]c(C)c(C)c2\1
InChIInChI=1S/C23H28N6O/c1-14-13-17(20(24)19-15(2)16(3)25-21(14)19)26-22-18-9-6-7-11-29(18)27-23(22)30-12-8-10-28(4)5/h6-7,9,11,13,24-25H,8,10,12H2,1-5H3/b24-20+,26-17+
InChIKeyQVPOVSPEHVGVMA-OREWWLCJSA-N
XLogP4.17
TPSA81.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine
CID 4029677
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
1H-Pyrazolo[4,3-c]pyridine, 4-(cyclohexyloxy)-3-[(1E)-2-(1-Methyl-1H-pyrazol-4-yl)ethenyl]-
CID 56943105
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253513
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442
4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 46898099
4-Ethoxy-3-methyl-1h-pyrazolo[4,3-c]pyridine
CID 46912641
5-[[(2S)-1-methylpiperazin-2-yl]methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
CID 66556036
3-(1-cyclopentylpyrazol-4-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66827038
4-(oxan-4-yloxy)-3-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine
CID 66828963
3-[1-(2-methylpropyl)pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66829086

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine (CID 137167663) is 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine is [H]/N=C1C(=N\c2c(OCCCN(C)C)nn3ccccc23)\C=C(C)c2[nH]c(C)c(C)c2\1.
What is the InChIKey of 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is QVPOVSPEHVGVMA-OREWWLCJSA-N. The full InChI is InChI=1S/C23H28N6O/c1-14-13-17(20(24)19-15(2)16(3)25-21(14)19)26-22-18-9-6-7-11-29(18)27-23(22)30-12-8-10-28(4)5/h6-7,9,11,13,24-25H,8,10,12H2,1-5H3/b24-20+,26-17+.
What are the key properties of 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine?
3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 404.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 137167663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).