3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine

C21H24N8O — CID 139321225

IUPAC3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESNNc1ccc(-c2cnn(C3CCOCC3)c2)nc1NCc1ccc2nccn2c1
InChIInChI=1S/C21H24N8O/c22-27-19-3-2-18(16-12-25-29(14-16)17-5-9-30-10-6-17)26-21(19)24-11-15-1-4-20-23-7-8-28(20)13-15/h1-4,7-8,12-14,17,27H,5-6,9-11,22H2,(H,24,26)
InChIKeyLTGAXSPNLCYHFY-UHFFFAOYSA-N
MW404.48 g/mol
LogP2.84
Rot. Bonds6

About 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine

3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 139321225) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID139321225
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESNNc1ccc(-c2cnn(C3CCOCC3)c2)nc1NCc1ccc2nccn2c1
InChIInChI=1S/C21H24N8O/c22-27-19-3-2-18(16-12-25-29(14-16)17-5-9-30-10-6-17)26-21(19)24-11-15-1-4-20-23-7-8-28(20)13-15/h1-4,7-8,12-14,17,27H,5-6,9-11,22H2,(H,24,26)
InChIKeyLTGAXSPNLCYHFY-UHFFFAOYSA-N
XLogP2.84
TPSA107.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine (CID 139321225) is 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine is NNc1ccc(-c2cnn(C3CCOCC3)c2)nc1NCc1ccc2nccn2c1.
What is the InChIKey of 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is LTGAXSPNLCYHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c22-27-19-3-2-18(16-12-25-29(14-16)17-5-9-30-10-6-17)26-21(19)24-11-15-1-4-20-23-7-8-28(20)13-15/h1-4,7-8,12-14,17,27H,5-6,9-11,22H2,(H,24,26).
What are the key properties of 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine?
3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 404.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 139321225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).