N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine

C19H18FN7 — CID 155149959

IUPACN-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2ccc(NN)c(NCc3cc4cccnc4cc3F)n2)cn1
InChIInChI=1S/C19H18FN7/c1-27-11-14(10-24-27)16-4-5-17(26-21)19(25-16)23-9-13-7-12-3-2-6-22-18(12)8-15(13)20/h2-8,10-11,26H,9,21H2,1H3,(H,23,25)
InChIKeyIYZVRJIQDOZJQV-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.07
Rot. Bonds5

About N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine

N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 155149959) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID155149959
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC NameN-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2ccc(NN)c(NCc3cc4cccnc4cc3F)n2)cn1
InChIInChI=1S/C19H18FN7/c1-27-11-14(10-24-27)16-4-5-17(26-21)19(25-16)23-9-13-7-12-3-2-6-22-18(12)8-15(13)20/h2-8,10-11,26H,9,21H2,1H3,(H,23,25)
InChIKeyIYZVRJIQDOZJQV-UHFFFAOYSA-N
XLogP3.07
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 155149959) is N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine is Cn1cc(-c2ccc(NN)c(NCc3cc4cccnc4cc3F)n2)cn1.
What is the InChIKey of N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is IYZVRJIQDOZJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7/c1-27-11-14(10-24-27)16-4-5-17(26-21)19(25-16)23-9-13-7-12-3-2-6-22-18(12)8-15(13)20/h2-8,10-11,26H,9,21H2,1H3,(H,23,25).
What are the key properties of N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine?
N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 363.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 155149959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).