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

C27H33N11O2 — CID 121418968

IUPAC2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN(C)C)nn3ccccc23)N=C1Nc1c(OCCN(C)C)nn2ccccc12
InChIInChI=1S/C27H33N11O2/c1-35(2)13-15-39-26-22(20-9-5-7-11-37(20)33-26)30-24-18(28)17-19(29)25(32-24)31-23-21-10-6-8-12-38(21)34-27(23)40-16-14-36(3)4/h5-12,17,28H,13-16,29H2,1-4H3,(H,30,31,32)/b28-18+
InChIKeyKDDLSQHARXQMGH-MTDXEUNCSA-N
MW543.64 g/mol
LogP2.28
Rot. Bonds10

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

2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (PubChem CID 121418968) has the molecular formula C27H33N11O2 and a molecular weight of 543.64 g/mol. Its IUPAC name is 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
PubChem CID121418968
Molecular FormulaC27H33N11O2
Molecular Weight543.64 g/mol
Exact Mass543.28
IUPAC Name2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine
SMILES[H]/N=C1\C=C(N)/C(=N/c2c(OCCN(C)C)nn3ccccc23)N=C1Nc1c(OCCN(C)C)nn2ccccc12
InChIInChI=1S/C27H33N11O2/c1-35(2)13-15-39-26-22(20-9-5-7-11-37(20)33-26)30-24-18(28)17-19(29)25(32-24)31-23-21-10-6-8-12-38(21)34-27(23)40-16-14-36(3)4/h5-12,17,28H,13-16,29H2,1-4H3,(H,30,31,32)/b28-18+
InChIKeyKDDLSQHARXQMGH-MTDXEUNCSA-N
XLogP2.28
TPSA146.16 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.64
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine with MolForge

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Related Compounds

5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 24936042
5-[4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]pyrazolo[1,5-a]pyridine
CID 122189387
US11247990, Example 350
CID 138715274
US10034861, Example 6
CID 132273306
US10034861, Example 9
CID 132273307
US10034861, Example 8
CID 132273308
US10034861, Example 54
CID 132273352
US10034861, Example 68
CID 132273364
US10034861, Example 60
CID 132273369
US10034861, Example 67
CID 132273371
US10034861, Example 94
CID 132273391
US10034861, Example 93
CID 132273393

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The IUPAC name of 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine (CID 121418968) is 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is [H]/N=C1\C=C(N)/C(=N/c2c(OCCN(C)C)nn3ccccc23)N=C1Nc1c(OCCN(C)C)nn2ccccc12.
What is the InChIKey of 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
The InChIKey is KDDLSQHARXQMGH-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H33N11O2/c1-35(2)13-15-39-26-22(20-9-5-7-11-37(20)33-26)30-24-18(28)17-19(29)25(32-24)31-23-21-10-6-8-12-38(21)34-27(23)40-16-14-36(3)4/h5-12,17,28H,13-16,29H2,1-4H3,(H,30,31,32)/b28-18+.
What are the key properties of 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine?
2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine has a molecular weight of 543.64 g/mol, XLogP of 2.28, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]imino-3-iminopyridine-2,5-diamine is sourced from PubChem (CID 121418968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).