5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C29H32N10 — CID 163788128

IUPAC5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCN(CCNCc1ccc(N(C)C)nc1)c1ccc(-c2cc(-c3cnn(C)c3)cc3ncc(C#N)n23)cn1
InChIInChI=1S/C29H32N10/c1-5-38(11-10-31-15-21-6-8-27(32-16-21)36(2)3)28-9-7-22(17-33-28)26-12-23(24-18-35-37(4)20-24)13-29-34-19-25(14-30)39(26)29/h6-9,12-13,16-20,31H,5,10-11,15H2,1-4H3
InChIKeyMUIGWFHSNVNTDH-UHFFFAOYSA-N
MW520.65 g/mol
LogP3.75
Rot. Bonds10

About 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 163788128) has the molecular formula C29H32N10 and a molecular weight of 520.65 g/mol. Its IUPAC name is 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID163788128
Molecular FormulaC29H32N10
Molecular Weight520.65 g/mol
Exact Mass520.28
IUPAC Name5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCN(CCNCc1ccc(N(C)C)nc1)c1ccc(-c2cc(-c3cnn(C)c3)cc3ncc(C#N)n23)cn1
InChIInChI=1S/C29H32N10/c1-5-38(11-10-31-15-21-6-8-27(32-16-21)36(2)3)28-9-7-22(17-33-28)26-12-23(24-18-35-37(4)20-24)13-29-34-19-25(14-30)39(26)29/h6-9,12-13,16-20,31H,5,10-11,15H2,1-4H3
InChIKeyMUIGWFHSNVNTDH-UHFFFAOYSA-N
XLogP3.75
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.65
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 163788128) is 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is CCN(CCNCc1ccc(N(C)C)nc1)c1ccc(-c2cc(-c3cnn(C)c3)cc3ncc(C#N)n23)cn1.
What is the InChIKey of 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is MUIGWFHSNVNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N10/c1-5-38(11-10-31-15-21-6-8-27(32-16-21)36(2)3)28-9-7-22(17-33-28)26-12-23(24-18-35-37(4)20-24)13-29-34-19-25(14-30)39(26)29/h6-9,12-13,16-20,31H,5,10-11,15H2,1-4H3.
What are the key properties of 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 520.65 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163788128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).