3-methylimino-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

C32H39N11O2 — CID 145102711

IUPAC3-methylimino-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
SMILESC/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCC2)nn2ccccc12
InChIInChI=1S/C32H39N11O2/c1-34-24-22-23(33)29(35-27-25-10-2-4-16-42(25)38-31(27)44-20-18-40-12-6-7-13-40)37-30(24)36-28-26-11-3-5-17-43(26)39-32(28)45-21-19-41-14-8-9-15-41/h2-5,10-11,16-17,22H,6-9,12-15,18-21,33H2,1H3,(H,35,36,37)/b34-24+
InChIKeyCQFWGCBXSDBECZ-JGRMKTMXSA-N
MW609.74 g/mol
LogP3.40
Rot. Bonds10

About 3-methylimino-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-methylimino-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 145102711) has the molecular formula C32H39N11O2 and a molecular weight of 609.74 g/mol. Its IUPAC name is 3-methylimino-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-methylimino-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 CID145102711
Molecular FormulaC32H39N11O2
Molecular Weight609.74 g/mol
Exact Mass609.33
IUPAC Name3-methylimino-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
SMILESC/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCC2)nn2ccccc12
InChIInChI=1S/C32H39N11O2/c1-34-24-22-23(33)29(35-27-25-10-2-4-16-42(25)38-31(27)44-20-18-40-12-6-7-13-40)37-30(24)36-28-26-11-3-5-17-43(26)39-32(28)45-21-19-41-14-8-9-15-41/h2-5,10-11,16-17,22H,6-9,12-15,18-21,33H2,1H3,(H,35,36,37)/b34-24+
InChIKeyCQFWGCBXSDBECZ-JGRMKTMXSA-N
XLogP3.40
TPSA134.67 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.74
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-methylimino-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

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Related Compounds

N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 134607118
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-(1-phenylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 135129208
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-(1-pyridin-3-ylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 135129230
5-(1-methylpyrazol-4-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 135129290
N-(1-cyclohexylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 135129337
US11535611, Example 3
CID 142608452
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 154827154
2-[6-Amino-4-imino-3-[2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-1,5-dien-1-yl]oxyethanol
CID 57467854
2-[2-(1-Methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57469281
2-[2-(1-Methylpyrrolidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57507686
2-[2-(4-Methylmorpholin-4-ium-4-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
CID 57507687
2-(3-Aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-trimethylazanium
CID 57507689

Frequently Asked Questions

What is the IUPAC name of 3-methylimino-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-methylimino-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 145102711) is 3-methylimino-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-methylimino-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-methylimino-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 C/N=C1\C=C(N)/C(=N/c2c(OCCN3CCCC3)nn3ccccc23)N=C1Nc1c(OCCN2CCCC2)nn2ccccc12.
What is the InChIKey of 3-methylimino-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 CQFWGCBXSDBECZ-JGRMKTMXSA-N. The full InChI is InChI=1S/C32H39N11O2/c1-34-24-22-23(33)29(35-27-25-10-2-4-16-42(25)38-31(27)44-20-18-40-12-6-7-13-40)37-30(24)36-28-26-11-3-5-17-43(26)39-32(28)45-21-19-41-14-8-9-15-41/h2-5,10-11,16-17,22H,6-9,12-15,18-21,33H2,1H3,(H,35,36,37)/b34-24+.
What are the key properties of 3-methylimino-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-methylimino-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 609.74 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-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 145102711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).