N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine

C24H31N7 — CID 137167669

IUPACN-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILES[H]/N=C1C(=N\c2c(NCCCN(C)C)nn3ccccc23)\C=C(CC)c2[nH]c(C)c(C)c2\1
InChIInChI=1S/C24H31N7/c1-6-17-14-18(21(25)20-15(2)16(3)27-22(17)20)28-23-19-10-7-8-13-31(19)29-24(23)26-11-9-12-30(4)5/h7-8,10,13-14,25,27H,6,9,11-12H2,1-5H3,(H,26,29)/b25-21+,28-18+
InChIKeyKDCJCSOKSGDECD-BQUOOXEASA-N
MW417.56 g/mol
LogP4.59
Rot. Bonds7

About N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine

N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 137167669) has the molecular formula C24H31N7 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID137167669
Molecular FormulaC24H31N7
Molecular Weight417.56 g/mol
Exact Mass417.26
IUPAC NameN-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILES[H]/N=C1C(=N\c2c(NCCCN(C)C)nn3ccccc23)\C=C(CC)c2[nH]c(C)c(C)c2\1
InChIInChI=1S/C24H31N7/c1-6-17-14-18(21(25)20-15(2)16(3)27-22(17)20)28-23-19-10-7-8-13-31(19)29-24(23)26-11-9-12-30(4)5/h7-8,10,13-14,25,27H,6,9,11-12H2,1-5H3,(H,26,29)/b25-21+,28-18+
InChIKeyKDCJCSOKSGDECD-BQUOOXEASA-N
XLogP4.59
TPSA84.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.59
H-Bond Donors ≤ 53
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 N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

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
2-[3-[[4-imino-2,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;2-[3-[[4-imino-2,3-dimethyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-5-ylidene]amino]pyrazolo[1,5-a]pyridin-2-yl]oxyethanol;N-[3-[(4-imino-2,3,7-trimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 159661699
4-[2-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-(2-hydroxyethylamino)-2-methylcyclohexa-2,5-dien-1-one
CID 59561393
3-amino-2-chloro-4-[2-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-6-methylcyclohexa-2,5-dien-1-one
CID 59561364
2-[2-[2-(diethylamino)ethylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one
CID 91506519
2-N-[3-(dimethylamino)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine
CID 90976922
5-(2-hydroxyethylamino)-2-methyl-4-[2-(3-piperidin-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-2,5-dien-1-one
CID 59561276
2-[[3-[(4,6-dioxocyclohex-2-en-1-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]amino]ethyl-trimethylazanium
CID 91541398
3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
CID 121421007
2-N-[2-(dimethylamino)ethyl]-3-N-methylpyrazolo[1,5-a]pyridine-2,3-diamine
CID 70831093
2-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-5-iminocyclohex-3-en-1-one
CID 90924242
3-amino-2-chloro-4-[2-(2-imidazol-1-ylethylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-6-methylcyclohexa-2,5-dien-1-one
CID 59561348

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine (CID 137167669) is N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine is [H]/N=C1C(=N\c2c(NCCCN(C)C)nn3ccccc23)\C=C(CC)c2[nH]c(C)c(C)c2\1.
What is the InChIKey of N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KDCJCSOKSGDECD-BQUOOXEASA-N. The full InChI is InChI=1S/C24H31N7/c1-6-17-14-18(21(25)20-15(2)16(3)27-22(17)20)28-23-19-10-7-8-13-31(19)29-24(23)26-11-9-12-30(4)5/h7-8,10,13-14,25,27H,6,9,11-12H2,1-5H3,(H,26,29)/b25-21+,28-18+.
What are the key properties of N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 417.56 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-ethyl-4-imino-2,3-dimethyl-1H-indol-5-ylidene)amino]pyrazolo[1,5-a]pyridin-2-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 137167669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).