3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine

C17H16F3N9 — CID 123180700

IUPAC3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine
SMILESNNc1ncc(-c2cnn(CC(F)(F)F)c2)nc1NCc1ccn2nccc2c1
InChIInChI=1S/C17H16F3N9/c18-17(19,20)10-28-9-12(7-25-28)14-8-23-16(27-21)15(26-14)22-6-11-2-4-29-13(5-11)1-3-24-29/h1-5,7-9H,6,10,21H2,(H,22,26)(H,23,27)
InChIKeyRZQWPTBBVOAXIB-UHFFFAOYSA-N
MW403.37 g/mol
LogP2.45
Rot. Bonds6

About 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine

3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine (PubChem CID 123180700) has the molecular formula C17H16F3N9 and a molecular weight of 403.37 g/mol. Its IUPAC name is 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine
PubChem CID123180700
Molecular FormulaC17H16F3N9
Molecular Weight403.37 g/mol
Exact Mass403.15
IUPAC Name3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine
SMILESNNc1ncc(-c2cnn(CC(F)(F)F)c2)nc1NCc1ccn2nccc2c1
InChIInChI=1S/C17H16F3N9/c18-17(19,20)10-28-9-12(7-25-28)14-8-23-16(27-21)15(26-14)22-6-11-2-4-29-13(5-11)1-3-24-29/h1-5,7-9H,6,10,21H2,(H,22,26)(H,23,27)
InChIKeyRZQWPTBBVOAXIB-UHFFFAOYSA-N
XLogP2.45
TPSA110.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 52.45
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-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine?
The IUPAC name of 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine (CID 123180700) is 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine?
The canonical SMILES for 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine is NNc1ncc(-c2cnn(CC(F)(F)F)c2)nc1NCc1ccn2nccc2c1.
What is the InChIKey of 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine?
The InChIKey is RZQWPTBBVOAXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N9/c18-17(19,20)10-28-9-12(7-25-28)14-8-23-16(27-21)15(26-14)22-6-11-2-4-29-13(5-11)1-3-24-29/h1-5,7-9H,6,10,21H2,(H,22,26)(H,23,27).
What are the key properties of 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine?
3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine has a molecular weight of 403.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(pyrazolo[1,5-a]pyridin-5-ylmethyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 123180700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).