2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine

C33H35N13O2 — CID 121421047

IUPAC2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCn3ccnc3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCn2ccnc2)nn2c(C)c(C)ccc12
InChIInChI=1S/C33H35N13O2/c1-20-5-7-26-28(32(41-45(26)22(20)3)47-15-13-43-11-9-36-18-43)38-30-24(34)17-25(35)31(40-30)39-29-27-8-6-21(2)23(4)46(27)42-33(29)48-16-14-44-12-10-37-19-44/h5-12,17-19,34H,13-16,35H2,1-4H3,(H,38,39,40)/b34-24+
InChIKeyAAODUYNBPUQKMP-JGRMKTMXSA-N
MW645.73 g/mol
LogP4.18
Rot. Bonds10

About 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine

2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (PubChem CID 121421047) has the molecular formula C33H35N13O2 and a molecular weight of 645.73 g/mol. Its IUPAC name is 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
PubChem CID121421047
Molecular FormulaC33H35N13O2
Molecular Weight645.73 g/mol
Exact Mass645.30
IUPAC Name2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCn3ccnc3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCn2ccnc2)nn2c(C)c(C)ccc12
InChIInChI=1S/C33H35N13O2/c1-20-5-7-26-28(32(41-45(26)22(20)3)47-15-13-43-11-9-36-18-43)38-30-24(34)17-25(35)31(40-30)39-29-27-8-6-21(2)23(4)46(27)42-33(29)48-16-14-44-12-10-37-19-44/h5-12,17-19,34H,13-16,35H2,1-4H3,(H,38,39,40)/b34-24+
InChIKeyAAODUYNBPUQKMP-JGRMKTMXSA-N
XLogP4.18
TPSA175.32 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.73
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine 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-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (CID 121421047) is 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCn3ccnc3)nn3c(C)c(C)ccc23)N=C1Nc1c(OCCn2ccnc2)nn2c(C)c(C)ccc12.
What is the InChIKey of 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The InChIKey is AAODUYNBPUQKMP-JGRMKTMXSA-N. The full InChI is InChI=1S/C33H35N13O2/c1-20-5-7-26-28(32(41-45(26)22(20)3)47-15-13-43-11-9-36-18-43)38-30-24(34)17-25(35)31(40-30)39-29-27-8-6-21(2)23(4)46(27)42-33(29)48-16-14-44-12-10-37-19-44/h5-12,17-19,34H,13-16,35H2,1-4H3,(H,38,39,40)/b34-24+.
What are the key properties of 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine has a molecular weight of 645.73 g/mol, XLogP of 4.18, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is sourced from PubChem (CID 121421047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).