3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine

C31H37N11O2 — CID 121421111

IUPAC3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCC2)nn2ccccc12
InChIInChI=1S/C31H37N11O2/c32-22-21-23(33)29(35-27-25-10-2-4-16-42(25)38-31(27)44-20-18-40-13-7-8-14-40)36-28(22)34-26-24-9-1-3-15-41(24)37-30(26)43-19-17-39-11-5-6-12-39/h1-4,9-10,15-16,21,32H,5-8,11-14,17-20,33H2,(H,34,35,36)/b32-22+
InChIKeyCOZUZURBQMWXCS-WEMUVCOSSA-N
MW595.71 g/mol
LogP3.35
Rot. Bonds10

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

3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine (PubChem CID 121421111) has the molecular formula C31H37N11O2 and a molecular weight of 595.71 g/mol. Its IUPAC name is 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine.

Molecular Properties

Compound Name3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
PubChem CID121421111
Molecular FormulaC31H37N11O2
Molecular Weight595.71 g/mol
Exact Mass595.31
IUPAC Name3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCC2)nn2ccccc12
InChIInChI=1S/C31H37N11O2/c32-22-21-23(33)29(35-27-25-10-2-4-16-42(25)38-31(27)44-20-18-40-13-7-8-14-40)36-28(22)34-26-24-9-1-3-15-41(24)37-30(26)43-19-17-39-11-5-6-12-39/h1-4,9-10,15-16,21,32H,5-8,11-14,17-20,33H2,(H,34,35,36)/b32-22+
InChIKeyCOZUZURBQMWXCS-WEMUVCOSSA-N
XLogP3.35
TPSA146.16 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.71
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]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 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?
The IUPAC name of 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine (CID 121421111) is 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine.
What is the SMILES notation for 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?
The canonical SMILES for 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCC2)nn2ccccc12.
What is the InChIKey of 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?
The InChIKey is COZUZURBQMWXCS-WEMUVCOSSA-N. The full InChI is InChI=1S/C31H37N11O2/c32-22-21-23(33)29(35-27-25-10-2-4-16-42(25)38-31(27)44-20-18-40-13-7-8-14-40)36-28(22)34-26-24-9-1-3-15-41(24)37-30(26)43-19-17-39-11-5-6-12-39/h1-4,9-10,15-16,21,32H,5-8,11-14,17-20,33H2,(H,34,35,36)/b32-22+.
What are the key properties of 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine?
3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine has a molecular weight of 595.71 g/mol, XLogP of 3.35, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-N-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-6-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine is sourced from PubChem (CID 121421111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).